1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine

C15H19N3 — CID 62744340

IUPAC1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine
SMILESCc1ccc(Cc2nccc(CC(C)N)n2)cc1
InChIInChI=1S/C15H19N3/c1-11-3-5-13(6-4-11)10-15-17-8-7-14(18-15)9-12(2)16/h3-8,12H,9-10,16H2,1-2H3
InChIKeyKVPLBXYJBXOUQQ-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.27
Rot. Bonds4

About 1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine

1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine (PubChem CID 62744340) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine
PubChem CID62744340
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine
SMILESCc1ccc(Cc2nccc(CC(C)N)n2)cc1
InChIInChI=1S/C15H19N3/c1-11-3-5-13(6-4-11)10-15-17-8-7-14(18-15)9-12(2)16/h3-8,12H,9-10,16H2,1-2H3
InChIKeyKVPLBXYJBXOUQQ-UHFFFAOYSA-N
XLogP2.27
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-chlorophenyl)methyl]pyrimidin-2-yl]propan-2-amine
CID 82666283
1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine
CID 62745395
1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine
CID 62745394
1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine
CID 55114291
2,4-dibenzylpyrimidine
CID 59375877
1-(2-tert-butylpyrimidin-4-yl)propan-2-amine
CID 62744339
(2-benzylpyrimidin-4-yl)methanamine
CID 62748253
1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine
CID 115531275
1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine
CID 103476626
1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine
CID 114755499
4-(chloromethyl)-2-[(3,5-dimethylphenyl)methyl]pyrimidine
CID 55114251
1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine
CID 62744170

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine?
The IUPAC name of 1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine (CID 62744340) is 1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine is Cc1ccc(Cc2nccc(CC(C)N)n2)cc1.
What is the InChIKey of 1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine?
The InChIKey is KVPLBXYJBXOUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-3-5-13(6-4-11)10-15-17-8-7-14(18-15)9-12(2)16/h3-8,12H,9-10,16H2,1-2H3.
What are the key properties of 1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine?
1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine has a molecular weight of 241.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine is sourced from PubChem (CID 62744340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).