2-amino-4-(dimethylamino)-5-(methylamino)-1H-pyrimidin-6-one

C7H13N5O — CID 137166997

IUPAC2-amino-4-(dimethylamino)-5-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1c(N(C)C)nc(N)[nH]c1=O
InChIInChI=1S/C7H13N5O/c1-9-4-5(12(2)3)10-7(8)11-6(4)13/h9H,1-3H3,(H3,8,10,11,13)
InChIKeyQOJRMQYEGKIUCS-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.54
Rot. Bonds2

About 2-amino-4-(dimethylamino)-5-(methylamino)-1H-pyrimidin-6-one

2-amino-4-(dimethylamino)-5-(methylamino)-1H-pyrimidin-6-one (PubChem CID 137166997) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 2-amino-4-(dimethylamino)-5-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(dimethylamino)-5-(methylamino)-1H-pyrimidin-6-one
PubChem CID137166997
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name2-amino-4-(dimethylamino)-5-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1c(N(C)C)nc(N)[nH]c1=O
InChIInChI=1S/C7H13N5O/c1-9-4-5(12(2)3)10-7(8)11-6(4)13/h9H,1-3H3,(H3,8,10,11,13)
InChIKeyQOJRMQYEGKIUCS-UHFFFAOYSA-N
XLogP-0.54
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-6-(methylamino)-5-nitroso-4-pyrimidinol
CID 135429858
8-Hydroxy-7-methylguanine
CID 135464078
6-Amino-2-(dimethylamino)-5-nitroso-4-pyrimidinol
CID 135404220
Formamide, N-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)-
CID 135463573
Tetrahydropterin
CID 135453284
2-amino-7-methyl-8,9-dihydro-1H-purin-6-one
CID 135499688
2-Methylamino-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135519036
2,6-diamino-4-hydroxy-5-N-methylformamidopyrimidine
CID 135398708
5-Amino-4-hydroxy-6-(methylamino)pyrimidine
CID 135500477
N-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)formamide
CID 333439
Pyrimidine, 2-amino-6-hydroxy-4-methylamino-5-trifluoroacetamido-
CID 171384109
7,9-Dimethyl-2-(methylamino)-1,8-dihydropurin-6-one
CID 163105540

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(dimethylamino)-5-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(dimethylamino)-5-(methylamino)-1H-pyrimidin-6-one (CID 137166997) is 2-amino-4-(dimethylamino)-5-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(dimethylamino)-5-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(dimethylamino)-5-(methylamino)-1H-pyrimidin-6-one is CNc1c(N(C)C)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-4-(dimethylamino)-5-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is QOJRMQYEGKIUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-9-4-5(12(2)3)10-7(8)11-6(4)13/h9H,1-3H3,(H3,8,10,11,13).
What are the key properties of 2-amino-4-(dimethylamino)-5-(methylamino)-1H-pyrimidin-6-one?
2-amino-4-(dimethylamino)-5-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 183.22 g/mol, XLogP of -0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(dimethylamino)-5-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137166997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).