N-[4-amino-5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide

C9H15N5O2 — CID 145259461

IUPACN-[4-amino-5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
SMILESCNc1c(N)nc(NC(=O)C(C)C)[nH]c1=O
InChIInChI=1S/C9H15N5O2/c1-4(2)7(15)13-9-12-6(10)5(11-3)8(16)14-9/h4,11H,1-3H3,(H4,10,12,13,14,15,16)
InChIKeyNWPHPPANCHZEOX-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.01
Rot. Bonds3

About N-[4-amino-5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide

N-[4-amino-5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide (PubChem CID 145259461) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[4-amino-5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-amino-5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
PubChem CID145259461
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN-[4-amino-5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
SMILESCNc1c(N)nc(NC(=O)C(C)C)[nH]c1=O
InChIInChI=1S/C9H15N5O2/c1-4(2)7(15)13-9-12-6(10)5(11-3)8(16)14-9/h4,11H,1-3H3,(H4,10,12,13,14,15,16)
InChIKeyNWPHPPANCHZEOX-UHFFFAOYSA-N
XLogP-0.01
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-4-hydroxy-6-(isobutylamino)-5-pyrimidinylformamide
CID 135403624
2,2-dimethyl-N-(5,6,7-trimethyl-4-oxo-3,4,5,6,7,8-hexahydro-2-pteridinyl)propanamide
CID 135401451
6,6-Dimethyltetrahydropterin
CID 135537086
6-methyl-2-(methylamino)-4,7(3H,8H)-pteridinedione
CID 135475051
n-{2-Amino-6-[(3-methylbutyl)amino]-4-oxo-1,4-dihydropyrimidin-5-yl}formamide
CID 135408631
Pyrimidine, 2,4-diamino-6-hydroxy-5-propionamido-
CID 137243182
N-[4-amino-2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2-dimethylpropanamide
CID 136648206
2-methyl-N-(6-oxo-1,7,8,9-tetrahydropurin-2-yl)propanamide
CID 137300524
N-[2-amino-6-oxo-4-(propylamino)-1H-pyrimidin-5-yl]formamide
CID 135500494
N-(5-amino-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide
CID 20276649
5-amino-2-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 20276677
2,5-diamino-4-[(2-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 135442228

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-amino-5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide (CID 145259461) is N-[4-amino-5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-amino-5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-amino-5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide is CNc1c(N)nc(NC(=O)C(C)C)[nH]c1=O.
What is the InChIKey of N-[4-amino-5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide?
The InChIKey is NWPHPPANCHZEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-4(2)7(15)13-9-12-6(10)5(11-3)8(16)14-9/h4,11H,1-3H3,(H4,10,12,13,14,15,16).
What are the key properties of N-[4-amino-5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide?
N-[4-amino-5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide has a molecular weight of 225.25 g/mol, XLogP of -0.01, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 145259461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).