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

C10H15N3O2 — CID 136956990

IUPAC4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2cc(=O)[nH]cn2)CCCO1
InChIInChI=1S/C10H15N3O2/c1-10(3-2-4-15-10)6-11-8-5-9(14)13-7-12-8/h5,7H,2-4,6H2,1H3,(H2,11,12,13,14)
InChIKeyRNQFIMFPIYEKSL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.75
Rot. Bonds3

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

4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136956990) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136956990
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2cc(=O)[nH]cn2)CCCO1
InChIInChI=1S/C10H15N3O2/c1-10(3-2-4-15-10)6-11-8-5-9(14)13-7-12-8/h5,7H,2-4,6H2,1H3,(H2,11,12,13,14)
InChIKeyRNQFIMFPIYEKSL-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-2-[(tetrahydrofuran-2-ylmethyl)amino]pyrimidin-4(3H)-one
CID 136204112
4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696650
2-amino-4-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one
CID 136776200
2-amino-4-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one
CID 136776201
4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786683
4-amino-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one
CID 136865193
4-amino-2-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one
CID 136865194
2-methyl-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956017
4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956019
4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956100
4-[(2-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136956536
5-iodo-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956987

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136956990) is 4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one is CC1(CNc2cc(=O)[nH]cn2)CCCO1.
What is the InChIKey of 4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is RNQFIMFPIYEKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(3-2-4-15-10)6-11-8-5-9(14)13-7-12-8/h5,7H,2-4,6H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one?
4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).