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

C17H23N3 — CID 61017076

IUPAC3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-1-amine
SMILESCc1nccc(CNC(CC(C)C)c2ccccc2)n1
InChIInChI=1S/C17H23N3/c1-13(2)11-17(15-7-5-4-6-8-15)19-12-16-9-10-18-14(3)20-16/h4-10,13,17,19H,11-12H2,1-3H3
InChIKeyLTENELHSQDYPJE-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.66
Rot. Bonds6

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

3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-1-amine (PubChem CID 61017076) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-1-amine
PubChem CID61017076
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-1-amine
SMILESCc1nccc(CNC(CC(C)C)c2ccccc2)n1
InChIInChI=1S/C17H23N3/c1-13(2)11-17(15-7-5-4-6-8-15)19-12-16-9-10-18-14(3)20-16/h4-10,13,17,19H,11-12H2,1-3H3
InChIKeyLTENELHSQDYPJE-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

SB-220025
CID 5164
4-Phenylpyrimidine
CID 18923
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
Midaglizole
CID 68864
VK-19911
CID 9797240
SB-242235
CID 9863367
FR-79620
CID 10421577
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
Pik-iii
CID 67983123

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-1-amine?
The IUPAC name of 3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-1-amine (CID 61017076) is 3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-1-amine is Cc1nccc(CNC(CC(C)C)c2ccccc2)n1.
What is the InChIKey of 3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-1-amine?
The InChIKey is LTENELHSQDYPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13(2)11-17(15-7-5-4-6-8-15)19-12-16-9-10-18-14(3)20-16/h4-10,13,17,19H,11-12H2,1-3H3.
What are the key properties of 3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-1-amine?
3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 61017076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).