2-methyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one

C12H19N3O2 — CID 136754603

IUPAC2-methyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCCC2CCCCO2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-9-14-11(8-12(16)15-9)13-6-5-10-4-2-3-7-17-10/h8,10H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyPGEKWVIWIMAFQH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.45
Rot. Bonds4

About 2-methyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one

2-methyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136754603) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-methyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136754603
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-methyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCCC2CCCCO2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-9-14-11(8-12(16)15-9)13-6-5-10-4-2-3-7-17-10/h8,10H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyPGEKWVIWIMAFQH-UHFFFAOYSA-N
XLogP1.45
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.45
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-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249108
2-ethyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 113604865
2-methyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 113604867
4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136569055
4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730161
4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730171
2-cyclopropyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754605
4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754606
4-[2-(oxan-2-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136754607
4-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136852158
4-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136852162

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one (CID 136754603) is 2-methyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one is Cc1nc(NCCC2CCCCO2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is PGEKWVIWIMAFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-14-11(8-12(16)15-9)13-6-5-10-4-2-3-7-17-10/h8,10H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-methyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one?
2-methyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136754603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).