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

C17H23N3 — CID 62756426

IUPAC2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
SMILESCc1cccc(Cc2ncc(CNCC(C)C)cn2)c1
InChIInChI=1S/C17H23N3/c1-13(2)9-18-10-16-11-19-17(20-12-16)8-15-6-4-5-14(3)7-15/h4-7,11-13,18H,8-10H2,1-3H3
InChIKeyGTRMVYXDLJSVKQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.12
Rot. Bonds6

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

2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 62756426) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID62756426
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
SMILESCc1cccc(Cc2ncc(CNCC(C)C)cn2)c1
InChIInChI=1S/C17H23N3/c1-13(2)9-18-10-16-11-19-17(20-12-16)8-15-6-4-5-14(3)7-15/h4-7,11-13,18H,8-10H2,1-3H3
InChIKeyGTRMVYXDLJSVKQ-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62758071
N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine
CID 62757123
N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62757153
[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol
CID 62757531
1-(3-methylphenyl)-N-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]methanamine
CID 130373377
2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63497350
4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol
CID 103631788
2-methyl-N-[3-(3-methylphenyl)propyl]propan-1-amine
CID 62367422
N-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 62757699
2-methyl-N-[[2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65137560
2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 43110036
N-[(3-methylphenyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969544

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine (CID 62756426) is 2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine is Cc1cccc(Cc2ncc(CNCC(C)C)cn2)c1.
What is the InChIKey of 2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is GTRMVYXDLJSVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13(2)9-18-10-16-11-19-17(20-12-16)8-15-6-4-5-14(3)7-15/h4-7,11-13,18H,8-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine?
2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62756426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).