N-(6-amino-2-oxo-1H-pyrimidin-5-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide

C15H15N7O2 — CID 167831806

IUPACN-(6-amino-2-oxo-1H-pyrimidin-5-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide
SMILESCn1ccc(Nc2ccc(C(=O)Nc3cnc(=O)[nH]c3N)cc2)n1
InChIInChI=1S/C15H15N7O2/c1-22-7-6-12(21-22)18-10-4-2-9(3-5-10)14(23)19-11-8-17-15(24)20-13(11)16/h2-8H,1H3,(H,18,21)(H,19,23)(H3,16,17,20,24)
InChIKeyGFRKLELKKCGDKP-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.08
Rot. Bonds4

About N-(6-amino-2-oxo-1H-pyrimidin-5-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide

N-(6-amino-2-oxo-1H-pyrimidin-5-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide (PubChem CID 167831806) has the molecular formula C15H15N7O2 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-(6-amino-2-oxo-1H-pyrimidin-5-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-(6-amino-2-oxo-1H-pyrimidin-5-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide
PubChem CID167831806
Molecular FormulaC15H15N7O2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC NameN-(6-amino-2-oxo-1H-pyrimidin-5-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide
SMILESCn1ccc(Nc2ccc(C(=O)Nc3cnc(=O)[nH]c3N)cc2)n1
InChIInChI=1S/C15H15N7O2/c1-22-7-6-12(21-22)18-10-4-2-9(3-5-10)14(23)19-11-8-17-15(24)20-13(11)16/h2-8H,1H3,(H,18,21)(H,19,23)(H3,16,17,20,24)
InChIKeyGFRKLELKKCGDKP-UHFFFAOYSA-N
XLogP1.08
TPSA130.72 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-butyl-1H-pyrazol-3-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide
CID 166244743
4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337
3-amino-4-bromo-N-(1-methylpyrazol-3-yl)benzamide
CID 61104249
N-(1-methylpyrazol-3-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18132198
5-(methylamino)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 104640352
3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide
CID 61104637
N-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methyl]-4-[(1-methylpyrazol-3-yl)amino]benzamide
CID 166364656
3-amino-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide
CID 60808969
3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide
CID 104627523
5-bromo-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 18152573
4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 18152749
[4-[(1-methylpyrazol-3-yl)amino]phenyl]-(1,4-thiazepan-4-yl)methanone
CID 126838578

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxo-1H-pyrimidin-5-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide?
The IUPAC name of N-(6-amino-2-oxo-1H-pyrimidin-5-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide (CID 167831806) is N-(6-amino-2-oxo-1H-pyrimidin-5-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide.
What is the SMILES notation for N-(6-amino-2-oxo-1H-pyrimidin-5-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide?
The canonical SMILES for N-(6-amino-2-oxo-1H-pyrimidin-5-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide is Cn1ccc(Nc2ccc(C(=O)Nc3cnc(=O)[nH]c3N)cc2)n1.
What is the InChIKey of N-(6-amino-2-oxo-1H-pyrimidin-5-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide?
The InChIKey is GFRKLELKKCGDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2/c1-22-7-6-12(21-22)18-10-4-2-9(3-5-10)14(23)19-11-8-17-15(24)20-13(11)16/h2-8H,1H3,(H,18,21)(H,19,23)(H3,16,17,20,24).
What are the key properties of N-(6-amino-2-oxo-1H-pyrimidin-5-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide?
N-(6-amino-2-oxo-1H-pyrimidin-5-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide has a molecular weight of 325.33 g/mol, XLogP of 1.08, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxo-1H-pyrimidin-5-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide is sourced from PubChem (CID 167831806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).