2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one

C14H16N4O — CID 136975561

IUPAC2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
SMILESCc1ccc(CNc2cc(=O)[nH]c(C3CC3)n2)cn1
InChIInChI=1S/C14H16N4O/c1-9-2-3-10(7-15-9)8-16-12-6-13(19)18-14(17-12)11-4-5-11/h2-3,6-7,11H,4-5,8H2,1H3,(H2,16,17,18,19)
InChIKeyMGICAZWEHTXTCF-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.96
Rot. Bonds4

About 2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136975561) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136975561
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
SMILESCc1ccc(CNc2cc(=O)[nH]c(C3CC3)n2)cn1
InChIInChI=1S/C14H16N4O/c1-9-2-3-10(7-15-9)8-16-12-6-13(19)18-14(17-12)11-4-5-11/h2-3,6-7,11H,4-5,8H2,1H3,(H2,16,17,18,19)
InChIKeyMGICAZWEHTXTCF-UHFFFAOYSA-N
XLogP1.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one (CID 136975561) is 2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one is Cc1ccc(CNc2cc(=O)[nH]c(C3CC3)n2)cn1.
What is the InChIKey of 2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is MGICAZWEHTXTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-2-3-10(7-15-9)8-16-12-6-13(19)18-14(17-12)11-4-5-11/h2-3,6-7,11H,4-5,8H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 256.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).