N-[(2R)-3-[2-[2-chloro-6-(dimethylamino)-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide

C16H24ClFN6O3 — CID 58000528

IUPACN-[(2R)-3-[2-[2-chloro-6-(dimethylamino)-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESCN(C)c1nc(Cl)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F
InChIInChI=1S/C16H24ClFN6O3/c1-23(2)14-12(18)13(19-16(17)20-14)21-22-15(26)11(8-24(27)9-25)7-10-5-3-4-6-10/h9-11,27H,3-8H2,1-2H3,(H,22,26)(H,19,20,21)/t11-/m1/s1
InChIKeyDGJPCPZYQZKMQS-LLVKDONJSA-N
MW402.86 g/mol
LogP1.82
Rot. Bonds9

About N-[(2R)-3-[2-[2-chloro-6-(dimethylamino)-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide

N-[(2R)-3-[2-[2-chloro-6-(dimethylamino)-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (PubChem CID 58000528) has the molecular formula C16H24ClFN6O3 and a molecular weight of 402.86 g/mol. Its IUPAC name is N-[(2R)-3-[2-[2-chloro-6-(dimethylamino)-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-3-[2-[2-chloro-6-(dimethylamino)-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
PubChem CID58000528
Molecular FormulaC16H24ClFN6O3
Molecular Weight402.86 g/mol
Exact Mass402.16
IUPAC NameN-[(2R)-3-[2-[2-chloro-6-(dimethylamino)-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESCN(C)c1nc(Cl)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F
InChIInChI=1S/C16H24ClFN6O3/c1-23(2)14-12(18)13(19-16(17)20-14)21-22-15(26)11(8-24(27)9-25)7-10-5-3-4-6-10/h9-11,27H,3-8H2,1-2H3,(H,22,26)(H,19,20,21)/t11-/m1/s1
InChIKeyDGJPCPZYQZKMQS-LLVKDONJSA-N
XLogP1.82
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 51.82
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[2-[2-chloro-6-(dimethylamino)-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-3-[2-[2-chloro-6-(dimethylamino)-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (CID 58000528) is N-[(2R)-3-[2-[2-chloro-6-(dimethylamino)-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-3-[2-[2-chloro-6-(dimethylamino)-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-3-[2-[2-chloro-6-(dimethylamino)-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is CN(C)c1nc(Cl)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F.
What is the InChIKey of N-[(2R)-3-[2-[2-chloro-6-(dimethylamino)-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is DGJPCPZYQZKMQS-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24ClFN6O3/c1-23(2)14-12(18)13(19-16(17)20-14)21-22-15(26)11(8-24(27)9-25)7-10-5-3-4-6-10/h9-11,27H,3-8H2,1-2H3,(H,22,26)(H,19,20,21)/t11-/m1/s1.
What are the key properties of N-[(2R)-3-[2-[2-chloro-6-(dimethylamino)-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-3-[2-[2-chloro-6-(dimethylamino)-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 402.86 g/mol, XLogP of 1.82, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[2-[2-chloro-6-(dimethylamino)-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 58000528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).