2-methyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one

C12H19N3O2 — CID 136964282

IUPAC2-methyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC2(C)CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-9-14-10(7-11(16)15-9)13-8-12(2)3-5-17-6-4-12/h7H,3-6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyAKOGJXFUVFFCFQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.31
Rot. Bonds3

About 2-methyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one

2-methyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136964282) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-methyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136964282
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-methyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC2(C)CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-9-14-10(7-11(16)15-9)13-8-12(2)3-5-17-6-4-12/h7H,3-6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyAKOGJXFUVFFCFQ-UHFFFAOYSA-N
XLogP1.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one (CID 136964282) is 2-methyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one is Cc1nc(NCC2(C)CCOCC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is AKOGJXFUVFFCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-14-10(7-11(16)15-9)13-8-12(2)3-5-17-6-4-12/h7H,3-6,8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-methyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one?
2-methyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136964282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).