4-[methyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one

C10H15N3O2 — CID 136957623

IUPAC4-[methyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC1CCCO1)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O2/c1-13(6-8-3-2-4-15-8)9-5-10(14)12-7-11-9/h5,7-8H,2-4,6H2,1H3,(H,11,12,14)
InChIKeyDSMJGSIITZRGOJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.39
Rot. Bonds3

About 4-[methyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one

4-[methyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957623) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[methyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[methyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136957623
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[methyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC1CCCO1)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O2/c1-13(6-8-3-2-4-15-8)9-5-10(14)12-7-11-9/h5,7-8H,2-4,6H2,1H3,(H,11,12,14)
InChIKeyDSMJGSIITZRGOJ-UHFFFAOYSA-N
XLogP0.39
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 17999106
N-[2-oxo-1-(oxolan-2-ylmethyl)pyrimidin-4-yl]acetamide
CID 21818189
6-Methyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidin-4-one
CID 62563259
3-[2-(Oxolan-2-ylmethylamino)ethyl]pyrimidin-4-one
CID 63795793
2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one
CID 92270666
2-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one
CID 92270667
2-(6-oxopyrimidin-1(6H)-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 121064098
3-methyl-6-(((tetrahydrofuran-2-yl)methyl)amino)pyrimidine-2,4(1H,3H)-dione
CID 121205371
3-methyl-6-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidine-2,4-dione
CID 129497344
3-methyl-6-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-2,4-dione
CID 129497345
5-amino-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 135709704
6-amino-2-[(tetrahydrofuran-2-ylmethyl)amino]pyrimidin-4(3H)-one
CID 136204112

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[methyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136957623) is 4-[methyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[methyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[methyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one is CN(CC1CCCO1)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[methyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is DSMJGSIITZRGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13(6-8-3-2-4-15-8)9-5-10(14)12-7-11-9/h5,7-8H,2-4,6H2,1H3,(H,11,12,14).
What are the key properties of 4-[methyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one?
4-[methyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxolan-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).