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

C9H13N3O2 — CID 136957047

IUPAC4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC1OCCC1Nc1cc(=O)[nH]cn1
InChIInChI=1S/C9H13N3O2/c1-6-7(2-3-14-6)12-8-4-9(13)11-5-10-8/h4-7H,2-3H2,1H3,(H2,10,11,12,13)
InChIKeyWLQSXMORZKDWBA-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.36
Rot. Bonds2

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

4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136957047) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136957047
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC1OCCC1Nc1cc(=O)[nH]cn1
InChIInChI=1S/C9H13N3O2/c1-6-7(2-3-14-6)12-8-4-9(13)11-5-10-8/h4-7H,2-3H2,1H3,(H2,10,11,12,13)
InChIKeyWLQSXMORZKDWBA-UHFFFAOYSA-N
XLogP0.36
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696631
4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706905
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136713901
4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136785537
4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820297
4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136824090
4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
CID 136852197
4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857180
4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870670
4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one
CID 136900908
4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905792
4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136955941

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one (CID 136957047) is 4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one is CC1OCCC1Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is WLQSXMORZKDWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-7(2-3-14-6)12-8-4-9(13)11-5-10-8/h4-7H,2-3H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of 0.36, 2 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)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).