2-(methylamino)-4-(N-methylanilino)-1H-pyrimidin-6-one

C12H14N4O — CID 137151006

IUPAC2-(methylamino)-4-(N-methylanilino)-1H-pyrimidin-6-one
SMILESCNc1nc(N(C)c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C12H14N4O/c1-13-12-14-10(8-11(17)15-12)16(2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,13,14,15,17)
InChIKeyDUGZLVSOBDXWAG-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.58
Rot. Bonds3

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

2-(methylamino)-4-(N-methylanilino)-1H-pyrimidin-6-one (PubChem CID 137151006) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(methylamino)-4-(N-methylanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(methylamino)-4-(N-methylanilino)-1H-pyrimidin-6-one
PubChem CID137151006
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-(methylamino)-4-(N-methylanilino)-1H-pyrimidin-6-one
SMILESCNc1nc(N(C)c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C12H14N4O/c1-13-12-14-10(8-11(17)15-12)16(2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,13,14,15,17)
InChIKeyDUGZLVSOBDXWAG-UHFFFAOYSA-N
XLogP1.58
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(N-methylanilino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(methylamino)-4-(N-methylanilino)-1H-pyrimidin-6-one (CID 137151006) is 2-(methylamino)-4-(N-methylanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(methylamino)-4-(N-methylanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(methylamino)-4-(N-methylanilino)-1H-pyrimidin-6-one is CNc1nc(N(C)c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-(methylamino)-4-(N-methylanilino)-1H-pyrimidin-6-one?
The InChIKey is DUGZLVSOBDXWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-13-12-14-10(8-11(17)15-12)16(2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,13,14,15,17).
What are the key properties of 2-(methylamino)-4-(N-methylanilino)-1H-pyrimidin-6-one?
2-(methylamino)-4-(N-methylanilino)-1H-pyrimidin-6-one has a molecular weight of 230.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(N-methylanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137151006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).