4-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one

C11H17N3O2 — CID 136852158

IUPAC4-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESNCc1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C11H17N3O2/c12-7-8-5-11(15)14-10(13-8)6-9-3-1-2-4-16-9/h5,9H,1-4,6-7,12H2,(H,13,14,15)
InChIKeyUBADKEWQQILUBH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.34
Rot. Bonds3

About 4-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one

4-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 136852158) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID136852158
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESNCc1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C11H17N3O2/c12-7-8-5-11(15)14-10(13-8)6-9-3-1-2-4-16-9/h5,9H,1-4,6-7,12H2,(H,13,14,15)
InChIKeyUBADKEWQQILUBH-UHFFFAOYSA-N
XLogP0.34
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730197
2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249108
2-[[2-(Oxan-2-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 105997903
4-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 135978361
4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 135978387
2-(oxolan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136095233
4-[(2-methoxyethylamino)methyl]-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095392
4-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095445
4-[(cyclopropylamino)methyl]-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095465
4-[(2-methylpropylamino)methyl]-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095477
4-[(tert-butylamino)methyl]-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095561
2-(oxolan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136095714

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (CID 136852158) is 4-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is NCc1cc(=O)[nH]c(CC2CCCCO2)n1.
What is the InChIKey of 4-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is UBADKEWQQILUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-7-8-5-11(15)14-10(13-8)6-9-3-1-2-4-16-9/h5,9H,1-4,6-7,12H2,(H,13,14,15).
What are the key properties of 4-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
4-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136852158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).