4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one

C9H9N5O — CID 137003975

IUPAC4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2ncccn2)n1
InChIInChI=1S/C9H9N5O/c1-6-5-7(15)13-9(12-6)14-8-10-3-2-4-11-8/h2-5H,1H3,(H2,10,11,12,13,14,15)
InChIKeyDOBHHQOYPHCYPG-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.61
Rot. Bonds2

About 4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one

4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 137003975) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one
PubChem CID137003975
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2ncccn2)n1
InChIInChI=1S/C9H9N5O/c1-6-5-7(15)13-9(12-6)14-8-10-3-2-4-11-8/h2-5H,1H3,(H2,10,11,12,13,14,15)
InChIKeyDOBHHQOYPHCYPG-UHFFFAOYSA-N
XLogP0.61
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one (CID 137003975) is 4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(Nc2ncccn2)n1.
What is the InChIKey of 4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is DOBHHQOYPHCYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-6-5-7(15)13-9(12-6)14-8-10-3-2-4-11-8/h2-5H,1H3,(H2,10,11,12,13,14,15).
What are the key properties of 4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one?
4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 203.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137003975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).