N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine

C14H23N3O — CID 107136775

IUPACN-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc(C)n1)C1CCCOC1
InChIInChI=1S/C14H23N3O/c1-3-7-16-14(12-5-4-9-18-10-12)13-6-8-15-11(2)17-13/h6,8,12,14,16H,3-5,7,9-10H2,1-2H3
InChIKeyDMRQKBGGFKJCBC-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.25
Rot. Bonds5

About N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine

N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine (PubChem CID 107136775) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine
PubChem CID107136775
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc(C)n1)C1CCCOC1
InChIInChI=1S/C14H23N3O/c1-3-7-16-14(12-5-4-9-18-10-12)13-6-8-15-11(2)17-13/h6,8,12,14,16H,3-5,7,9-10H2,1-2H3
InChIKeyDMRQKBGGFKJCBC-UHFFFAOYSA-N
XLogP2.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 82932311
N-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine
CID 115530813
N-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115531004
N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107978055
N-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine
CID 107138702
N-[(2-ethylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115531056
N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 63013091
N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine
CID 107136382
N-[(5-fluoro-2-methylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 65333512
N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139020
N-[(4-methylsulfanylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107137025
N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 63010878

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine (CID 107136775) is N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine is CCCNC(c1ccnc(C)n1)C1CCCOC1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine?
The InChIKey is DMRQKBGGFKJCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-7-16-14(12-5-4-9-18-10-12)13-6-8-15-11(2)17-13/h6,8,12,14,16H,3-5,7,9-10H2,1-2H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine?
N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 107136775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).