N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide

C20H31FN6O3 — CID 87209993

IUPACN-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESCc1nc(NNC(=O)[C@@H](CC2CCCC2)CN(O)C=O)c(F)c(NC2CCCC2)n1
InChIInChI=1S/C20H31FN6O3/c1-13-22-18(24-16-8-4-5-9-16)17(21)19(23-13)25-26-20(29)15(11-27(30)12-28)10-14-6-2-3-7-14/h12,14-16,30H,2-11H2,1H3,(H,26,29)(H2,22,23,24,25)/t15-/m0/s1
InChIKeyUGAADOAYKDQPHT-HNNXBMFYSA-N
MW422.51 g/mol
LogP2.77
Rot. Bonds10

About N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide

N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (PubChem CID 87209993) has the molecular formula C20H31FN6O3 and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
PubChem CID87209993
Molecular FormulaC20H31FN6O3
Molecular Weight422.51 g/mol
Exact Mass422.24
IUPAC NameN-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESCc1nc(NNC(=O)[C@@H](CC2CCCC2)CN(O)C=O)c(F)c(NC2CCCC2)n1
InChIInChI=1S/C20H31FN6O3/c1-13-22-18(24-16-8-4-5-9-16)17(21)19(23-13)25-26-20(29)15(11-27(30)12-28)10-14-6-2-3-7-14/h12,14-16,30H,2-11H2,1H3,(H,26,29)(H2,22,23,24,25)/t15-/m0/s1
InChIKeyUGAADOAYKDQPHT-HNNXBMFYSA-N
XLogP2.77
TPSA119.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-(cyclohexylmethyl)-3-[2-[4-(cyclopropylamino)-5-fluoropyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 10023548
N-[(2R)-2-[[[4-(cyclopropylamino)-5-fluoropyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 10316944
[(2R)-3-(2-{2-chloro-6-[(2R)-2,4-dimethyl-1-piperazinyl]-5-fluoro-4-pyrimidinyl}hydrazino)-2-(cyclopentylmethyl)-3-oxopropyl]hydroxyformamide
CID 25265770
N-[(2R)-3-[2-[2-chloro-6-[(2R)-2,4-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclobutylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 58000511
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 58000513
N-[(2R)-3-[2-(2-chloro-5-fluoro-6-pyrrolidin-1-ylpyrimidin-4-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 58000514
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(2R,3R)-3-(dimethylamino)-2-methylpyrrolidin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 58000515
N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 58000516
[(2R)-3-{2-[6-(1-azetidinyl)-2-ethyl-5-fluoro-4-pyrimidinyl]hydrazino}-2-(cyclopentylmethyl)-3-oxopropyl]hydroxyformamide
CID 58000517
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(dimethylamino)-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 58000518
N-[(2R)-3-[2-[6-[(4aR,8aS)-4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 58000519
N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 58000520

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (CID 87209993) is N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is Cc1nc(NNC(=O)[C@@H](CC2CCCC2)CN(O)C=O)c(F)c(NC2CCCC2)n1.
What is the InChIKey of N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is UGAADOAYKDQPHT-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H31FN6O3/c1-13-22-18(24-16-8-4-5-9-16)17(21)19(23-13)25-26-20(29)15(11-27(30)12-28)10-14-6-2-3-7-14/h12,14-16,30H,2-11H2,1H3,(H,26,29)(H2,22,23,24,25)/t15-/m0/s1.
What are the key properties of N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 422.51 g/mol, XLogP of 2.77, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 87209993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).