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

C5H8N4O — CID 45080235

IUPAC6-amino-4-(methylamino)-1H-pyrimidin-2-one
SMILESCNc1cc(N)[nH]c(=O)n1
InChIInChI=1S/C5H8N4O/c1-7-4-2-3(6)8-5(10)9-4/h2H,1H3,(H4,6,7,8,9,10)
InChIKeySWJAEZSIUZGXPO-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.61
Rot. Bonds1

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

6-amino-4-(methylamino)-1H-pyrimidin-2-one (PubChem CID 45080235) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 6-amino-4-(methylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-4-(methylamino)-1H-pyrimidin-2-one
PubChem CID45080235
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name6-amino-4-(methylamino)-1H-pyrimidin-2-one
SMILESCNc1cc(N)[nH]c(=O)n1
InChIInChI=1S/C5H8N4O/c1-7-4-2-3(6)8-5(10)9-4/h2H,1H3,(H4,6,7,8,9,10)
InChIKeySWJAEZSIUZGXPO-UHFFFAOYSA-N
XLogP-0.61
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2(1H)-Pyrimidinone, 4-amino-1,N-dimethyl-
CID 138689
4,6-Diaminopyrimidin-2(1H)-one
CID 246910
6-Amino-4-(butylamino)pyrimidin-2(1H)-one
CID 308584
4-(Dimethylamino)-6-fluoropyrimidin-2(1H)-one
CID 3546744
4-Amino-6-(dimethylamino)pyrimidin-2-ol
CID 816929
6-(Ethylamino)-4-fluoropyrimidin-2(1H)-one
CID 15274271
4,6-diamino-1-methyl-2(1H)-pyrimidinone
CID 4738491
6-chloro-4-(methylamino)-1H-pyrimidin-2-one
CID 14377178
4,6-Diaminopyrimidin-2(1H)-one hydrochloride
CID 24213302
1-(Aminomethyl)-4-(ethenylamino)pyrimidin-2-one
CID 69973276
4,6-bis(methylamino)-1H-pyrimidin-2-one
CID 83864225
6-amino-4-(ethylamino)-1H-pyrimidin-2-one
CID 89001434

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(methylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-4-(methylamino)-1H-pyrimidin-2-one (CID 45080235) is 6-amino-4-(methylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-4-(methylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-4-(methylamino)-1H-pyrimidin-2-one is CNc1cc(N)[nH]c(=O)n1.
What is the InChIKey of 6-amino-4-(methylamino)-1H-pyrimidin-2-one?
The InChIKey is SWJAEZSIUZGXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-7-4-2-3(6)8-5(10)9-4/h2H,1H3,(H4,6,7,8,9,10).
What are the key properties of 6-amino-4-(methylamino)-1H-pyrimidin-2-one?
6-amino-4-(methylamino)-1H-pyrimidin-2-one has a molecular weight of 140.15 g/mol, XLogP of -0.61, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(methylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 45080235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).