2-(oxan-3-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

C13H21N3O2 — CID 114206286

IUPAC2-(oxan-3-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCC(C)NCc1cnc(C2CCCOC2)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-9(2)14-6-11-7-15-12(16-13(11)17)10-4-3-5-18-8-10/h7,9-10,14H,3-6,8H2,1-2H3,(H,15,16,17)
InChIKeyMXANAJKBJWTZNV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.16
Rot. Bonds4

About 2-(oxan-3-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

2-(oxan-3-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 114206286) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(oxan-3-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(oxan-3-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
PubChem CID114206286
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(oxan-3-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCC(C)NCc1cnc(C2CCCOC2)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-9(2)14-6-11-7-15-12(16-13(11)17)10-4-3-5-18-8-10/h7,9-10,14H,3-6,8H2,1-2H3,(H,15,16,17)
InChIKeyMXANAJKBJWTZNV-UHFFFAOYSA-N
XLogP1.16
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 84121099
5-(methylaminomethyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 84131866
5-(aminomethyl)-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 104189997
5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 114206191
2-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206282
2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206298
2-(2-ethoxyethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206305
5-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 114206321
5-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 114206334
2,4-dimethyl-5-[1-(oxan-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one
CID 136082020
2-(oxan-3-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136274259

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(oxan-3-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (CID 114206286) is 2-(oxan-3-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(oxan-3-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(oxan-3-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is CC(C)NCc1cnc(C2CCCOC2)[nH]c1=O.
What is the InChIKey of 2-(oxan-3-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is MXANAJKBJWTZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)14-6-11-7-15-12(16-13(11)17)10-4-3-5-18-8-10/h7,9-10,14H,3-6,8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(oxan-3-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
2-(oxan-3-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 114206286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).