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

C5H8N4O — CID 135455590

IUPAC4-amino-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C5H8N4O/c1-7-5-8-3(6)2-4(10)9-5/h2H,1H3,(H4,6,7,8,9,10)
InChIKeyJFQJCNWEJFWWHQ-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.61
Rot. Bonds1

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

4-amino-2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 135455590) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 4-amino-2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(methylamino)-1H-pyrimidin-6-one
PubChem CID135455590
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name4-amino-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C5H8N4O/c1-7-5-8-3(6)2-4(10)9-5/h2H,1H3,(H4,6,7,8,9,10)
InChIKeyJFQJCNWEJFWWHQ-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(methylamino)-1H-pyrimidin-6-one (CID 135455590) is 4-amino-2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(methylamino)-1H-pyrimidin-6-one is CNc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 4-amino-2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is JFQJCNWEJFWWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-7-5-8-3(6)2-4(10)9-5/h2H,1H3,(H4,6,7,8,9,10).
What are the key properties of 4-amino-2-(methylamino)-1H-pyrimidin-6-one?
4-amino-2-(methylamino)-1H-pyrimidin-6-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 4-amino-2-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135455590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).