N'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide

C16H23N7O2 — CID 19143794

IUPACN'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide
SMILESNc1c(NCCN2CCCCC2)ncnc1NNC(=O)c1ccco1
InChIInChI=1S/C16H23N7O2/c17-13-14(18-6-9-23-7-2-1-3-8-23)19-11-20-15(13)21-22-16(24)12-5-4-10-25-12/h4-5,10-11H,1-3,6-9,17H2,(H,22,24)(H2,18,19,20,21)
InChIKeyYGIKIGBREUWDSS-UHFFFAOYSA-N
MW345.41 g/mol
LogP1.31
Rot. Bonds7

About N'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide

N'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide (PubChem CID 19143794) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is N'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide
PubChem CID19143794
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC NameN'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide
SMILESNc1c(NCCN2CCCCC2)ncnc1NNC(=O)c1ccco1
InChIInChI=1S/C16H23N7O2/c17-13-14(18-6-9-23-7-2-1-3-8-23)19-11-20-15(13)21-22-16(24)12-5-4-10-25-12/h4-5,10-11H,1-3,6-9,17H2,(H,22,24)(H2,18,19,20,21)
InChIKeyYGIKIGBREUWDSS-UHFFFAOYSA-N
XLogP1.31
TPSA121.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(propylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19135482
N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19144226
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19152033
N'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150929
methyl 1-[5-amino-6-[2-(furan-2-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate
CID 19152070
ethyl 1-[5-amino-6-[2-(furan-2-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142289
N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19150190
N'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19141013
2-nitro-N'-[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]benzohydrazide
CID 22526083
ethyl 2-[[5-amino-6-[2-(furan-2-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19152080
6-phenylsulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine
CID 19143766
2-methyl-N'-[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]benzohydrazide
CID 22526079

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide (CID 19143794) is N'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide is Nc1c(NCCN2CCCCC2)ncnc1NNC(=O)c1ccco1.
What is the InChIKey of N'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide?
The InChIKey is YGIKIGBREUWDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c17-13-14(18-6-9-23-7-2-1-3-8-23)19-11-20-15(13)21-22-16(24)12-5-4-10-25-12/h4-5,10-11H,1-3,6-9,17H2,(H,22,24)(H2,18,19,20,21).
What are the key properties of N'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide?
N'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide has a molecular weight of 345.41 g/mol, XLogP of 1.31, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide is sourced from PubChem (CID 19143794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).