N-[[4,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine

C18H25N3 — CID 62746002

IUPACN-[[4,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nc(Cc2cccc(C)c2)nc1C
InChIInChI=1S/C18H25N3/c1-5-9-19-12-17-14(3)20-18(21-15(17)4)11-16-8-6-7-13(2)10-16/h6-8,10,19H,5,9,11-12H2,1-4H3
InChIKeyKMJIGAIPDBENNW-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.49
Rot. Bonds6

About N-[[4,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine

N-[[4,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 62746002) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID62746002
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[[4,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nc(Cc2cccc(C)c2)nc1C
InChIInChI=1S/C18H25N3/c1-5-9-19-12-17-14(3)20-18(21-15(17)4)11-16-8-6-7-13(2)10-16/h6-8,10,19H,5,9,11-12H2,1-4H3
InChIKeyKMJIGAIPDBENNW-UHFFFAOYSA-N
XLogP3.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(4-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 62745833
[5,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-yl]hydrazine
CID 62250158
N-[[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62744955
N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 63839795
N-[2-[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62746685
N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 55113779
2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 62746332
N-[[4,6-dimethyl-2-(3-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296977
N-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66145704
N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine
CID 62757123
N-(4-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
CID 58090680
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine (CID 62746002) is N-[[4,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1c(C)nc(Cc2cccc(C)c2)nc1C.
What is the InChIKey of N-[[4,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is KMJIGAIPDBENNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-5-9-19-12-17-14(3)20-18(21-15(17)4)11-16-8-6-7-13(2)10-16/h6-8,10,19H,5,9,11-12H2,1-4H3.
What are the key properties of N-[[4,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine?
N-[[4,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62746002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).