4-(methylaminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one

C11H17N3O2 — CID 136886307

IUPAC4-(methylaminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(CC2CCOC2)n1
InChIInChI=1S/C11H17N3O2/c1-12-6-9-5-11(15)14-10(13-9)4-8-2-3-16-7-8/h5,8,12H,2-4,6-7H2,1H3,(H,13,14,15)
InChIKeyXJCMACIBPMORFU-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.07
Rot. Bonds4

About 4-(methylaminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one

4-(methylaminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 136886307) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(methylaminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methylaminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID136886307
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(methylaminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(CC2CCOC2)n1
InChIInChI=1S/C11H17N3O2/c1-12-6-9-5-11(15)14-10(13-9)4-8-2-3-16-7-8/h5,8,12H,2-4,6-7H2,1H3,(H,13,14,15)
InChIKeyXJCMACIBPMORFU-UHFFFAOYSA-N
XLogP0.07
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 136886289
4-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136886266
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 103987689
2-(oxolan-3-ylmethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941398
N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 103988061
N-methyl-1-[4-(oxolan-3-ylmethoxy)quinolin-2-yl]methanamine
CID 63377053
2-tert-butyl-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978262
4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 137264745
5-(4-fluorophenyl)-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 103986007
N-[[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 103987970
2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786682
5-ethyl-6-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidine-4-thione
CID 106477076

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(methylaminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one (CID 136886307) is 4-(methylaminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methylaminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methylaminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one is CNCc1cc(=O)[nH]c(CC2CCOC2)n1.
What is the InChIKey of 4-(methylaminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is XJCMACIBPMORFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-12-6-9-5-11(15)14-10(13-9)4-8-2-3-16-7-8/h5,8,12H,2-4,6-7H2,1H3,(H,13,14,15).
What are the key properties of 4-(methylaminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
4-(methylaminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136886307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).