2-methyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one

C11H17N3O2 — CID 136905782

IUPAC2-methyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CCOC2C)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-7-9(3-4-16-7)6-12-10-5-11(15)14-8(2)13-10/h5,7,9H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyGQRHYRHVDJVGQY-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.92
Rot. Bonds3

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

2-methyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136905782) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136905782
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-methyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CCOC2C)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-7-9(3-4-16-7)6-12-10-5-11(15)14-8(2)13-10/h5,7,9H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyGQRHYRHVDJVGQY-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

4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136675573
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136675576
2-cyclopropyl-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675578
4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723601
2-cyclopropyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723602
2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136738998
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136756214
2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764964
4-[(3-methoxycyclopentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136785539
2-cyclopropyl-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136785542
2-methyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786678
2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786682

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136905782) is 2-methyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is Cc1nc(NCC2CCOC2C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is GQRHYRHVDJVGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-9(3-4-16-7)6-12-10-5-11(15)14-8(2)13-10/h5,7,9H,3-4,6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-methyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
2-methyl-4-[(2-methyloxolan-3-yl)methylamino]-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-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136905782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).