2-methyl-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one

C11H17N3O2 — CID 136956245

IUPAC2-methyl-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CCCOC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-13-10(5-11(15)14-8)12-6-9-3-2-4-16-7-9/h5,9H,2-4,6-7H2,1H3,(H2,12,13,14,15)
InChIKeyLSZBYTAAJCTRKT-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.92
Rot. Bonds3

About 2-methyl-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one

2-methyl-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136956245) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136956245
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-methyl-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CCCOC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-13-10(5-11(15)14-8)12-6-9-3-2-4-16-7-9/h5,9H,2-4,6-7H2,1H3,(H2,12,13,14,15)
InChIKeyLSZBYTAAJCTRKT-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136633030
2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 63736684
4-(piperidin-3-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604871
2-ethyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586409
2-cyclopropyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586410
2-methyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586414
4-amino-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136274239
4-(aminomethyl)-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136274255
4-(methylaminomethyl)-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136274256
4-(ethylaminomethyl)-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136274257
2-(oxan-3-yl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136274258
2-(oxan-3-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136274259

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one (CID 136956245) is 2-methyl-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one is Cc1nc(NCC2CCCOC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is LSZBYTAAJCTRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-13-10(5-11(15)14-8)12-6-9-3-2-4-16-7-9/h5,9H,2-4,6-7H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-methyl-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one?
2-methyl-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.92, 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-3-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).