N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide

C14H12ClN7O2 — CID 19147119

IUPACN'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide
SMILESNc1c(NNC(=O)c2ccco2)ncnc1Nc1ccc(Cl)cn1
InChIInChI=1S/C14H12ClN7O2/c15-8-3-4-10(17-6-8)20-12-11(16)13(19-7-18-12)21-22-14(23)9-2-1-5-24-9/h1-7H,16H2,(H,22,23)(H2,17,18,19,20,21)
InChIKeyOROGHOULINTFGE-UHFFFAOYSA-N
MW345.75 g/mol
LogP2.20
Rot. Bonds5

About N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide

N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide (PubChem CID 19147119) has the molecular formula C14H12ClN7O2 and a molecular weight of 345.75 g/mol. Its IUPAC name is N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide
PubChem CID19147119
Molecular FormulaC14H12ClN7O2
Molecular Weight345.75 g/mol
Exact Mass345.07
IUPAC NameN'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide
SMILESNc1c(NNC(=O)c2ccco2)ncnc1Nc1ccc(Cl)cn1
InChIInChI=1S/C14H12ClN7O2/c15-8-3-4-10(17-6-8)20-12-11(16)13(19-7-18-12)21-22-14(23)9-2-1-5-24-9/h1-7H,16H2,(H,22,23)(H2,17,18,19,20,21)
InChIKeyOROGHOULINTFGE-UHFFFAOYSA-N
XLogP2.20
TPSA130.99 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 52.20
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-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19146753
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19152033
N'-[5-amino-6-(2,3-dimethylanilino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19143204
N'-[5-amino-6-(propylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19135482
ethyl 2-[[5-amino-6-[2-(furan-2-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19152080
N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19150190
N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19144226
N'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19141013
4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138037
ethyl 3-[[5-amino-6-[2-(furan-2-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19152054
N'-(4-chlorophenyl)furan-2-carbohydrazide
CID 3043690
6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544968

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide (CID 19147119) is N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide is Nc1c(NNC(=O)c2ccco2)ncnc1Nc1ccc(Cl)cn1.
What is the InChIKey of N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide?
The InChIKey is OROGHOULINTFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN7O2/c15-8-3-4-10(17-6-8)20-12-11(16)13(19-7-18-12)21-22-14(23)9-2-1-5-24-9/h1-7H,16H2,(H,22,23)(H2,17,18,19,20,21).
What are the key properties of N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide?
N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide has a molecular weight of 345.75 g/mol, XLogP of 2.20, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide is sourced from PubChem (CID 19147119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).