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

C5H8N4O — CID 19842464

IUPAC6-amino-5-(methylamino)-1H-pyrimidin-2-one
SMILESCNc1cnc(=O)[nH]c1N
InChIInChI=1S/C5H8N4O/c1-7-3-2-8-5(10)9-4(3)6/h2,7H,1H3,(H3,6,8,9,10)
InChIKeyJNWBTYLVGZLOGY-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.61
Rot. Bonds1

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

6-amino-5-(methylamino)-1H-pyrimidin-2-one (PubChem CID 19842464) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 6-amino-5-(methylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-(methylamino)-1H-pyrimidin-2-one
PubChem CID19842464
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name6-amino-5-(methylamino)-1H-pyrimidin-2-one
SMILESCNc1cnc(=O)[nH]c1N
InChIInChI=1S/C5H8N4O/c1-7-3-2-8-5(10)9-4(3)6/h2,7H,1H3,(H3,6,8,9,10)
InChIKeyJNWBTYLVGZLOGY-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 6-amino-5-(methylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-(methylamino)-1H-pyrimidin-2-one (CID 19842464) is 6-amino-5-(methylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-(methylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-(methylamino)-1H-pyrimidin-2-one is CNc1cnc(=O)[nH]c1N.
What is the InChIKey of 6-amino-5-(methylamino)-1H-pyrimidin-2-one?
The InChIKey is JNWBTYLVGZLOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-7-3-2-8-5(10)9-4(3)6/h2,7H,1H3,(H3,6,8,9,10).
What are the key properties of 6-amino-5-(methylamino)-1H-pyrimidin-2-one?
6-amino-5-(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-5-(methylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 19842464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).