2-methyl-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one

C11H17N3O2 — CID 136956336

IUPAC2-methyl-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CCCCO2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-13-10(6-11(15)14-8)12-7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3,(H2,12,13,14,15)
InChIKeyYKKZKCZJNPLQPN-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.06
Rot. Bonds3

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

2-methyl-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136956336) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136956336
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-methyl-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CCCCO2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-13-10(6-11(15)14-8)12-7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3,(H2,12,13,14,15)
InChIKeyYKKZKCZJNPLQPN-UHFFFAOYSA-N
XLogP1.06
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one (CID 136956336) is 2-methyl-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one is Cc1nc(NCC2CCCCO2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is YKKZKCZJNPLQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-13-10(6-11(15)14-8)12-7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-methyl-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one?
2-methyl-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).