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

C10H15N3O2 — CID 136905792

IUPAC4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1OCCC1CNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O2/c1-7-8(2-3-15-7)5-11-9-4-10(14)13-6-12-9/h4,6-8H,2-3,5H2,1H3,(H2,11,12,13,14)
InChIKeyNRDRQNASULINKU-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.61
Rot. Bonds3

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

4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136905792) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136905792
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1OCCC1CNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O2/c1-7-8(2-3-15-7)5-11-9-4-10(14)13-6-12-9/h4,6-8H,2-3,5H2,1H3,(H2,11,12,13,14)
InChIKeyNRDRQNASULINKU-UHFFFAOYSA-N
XLogP0.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675570
4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723605
4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136739000
4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136785537
4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786683
4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870670
4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883383
2-methyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905782
5-amino-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905785
4-[(2-methyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136905786
2-cyclopropyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905787
5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905788

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136905792) is 4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is CC1OCCC1CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is NRDRQNASULINKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-8(2-3-15-7)5-11-9-4-10(14)13-6-12-9/h4,6-8H,2-3,5H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136905792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).