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

C15H15N3 — CID 62339520

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-3-phenylprop-2-yn-1-amine
SMILESCc1nccc(CNCC#Cc2ccccc2)n1
InChIInChI=1S/C15H15N3/c1-13-17-11-9-15(18-13)12-16-10-5-8-14-6-3-2-4-7-14/h2-4,6-7,9,11,16H,10,12H2,1H3
InChIKeyRDZREJVDTVDRAI-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.93
Rot. Bonds3

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

N-[(2-methylpyrimidin-4-yl)methyl]-3-phenylprop-2-yn-1-amine (PubChem CID 62339520) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-3-phenylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-3-phenylprop-2-yn-1-amine
PubChem CID62339520
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-3-phenylprop-2-yn-1-amine
SMILESCc1nccc(CNCC#Cc2ccccc2)n1
InChIInChI=1S/C15H15N3/c1-13-17-11-9-15(18-13)12-16-10-5-8-14-6-3-2-4-7-14/h2-4,6-7,9,11,16H,10,12H2,1H3
InChIKeyRDZREJVDTVDRAI-UHFFFAOYSA-N
XLogP1.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine
CID 61016402
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 60960956
N-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine
CID 62341214
1-(2-methylpyrimidin-4-yl)-N-phenylmethoxymethanamine
CID 82710120
N-(1,2,4-oxadiazol-3-ylmethyl)-3-phenylprop-2-yn-1-amine
CID 106399101
N-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 62344748
4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzonitrile
CID 47272282
1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60961241
3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile
CID 62894370
N'-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 107445412
N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 116615427

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-3-phenylprop-2-yn-1-amine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-3-phenylprop-2-yn-1-amine (CID 62339520) is N-[(2-methylpyrimidin-4-yl)methyl]-3-phenylprop-2-yn-1-amine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-3-phenylprop-2-yn-1-amine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-3-phenylprop-2-yn-1-amine is Cc1nccc(CNCC#Cc2ccccc2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-3-phenylprop-2-yn-1-amine?
The InChIKey is RDZREJVDTVDRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-13-17-11-9-15(18-13)12-16-10-5-8-14-6-3-2-4-7-14/h2-4,6-7,9,11,16H,10,12H2,1H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-3-phenylprop-2-yn-1-amine?
N-[(2-methylpyrimidin-4-yl)methyl]-3-phenylprop-2-yn-1-amine has a molecular weight of 237.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-3-phenylprop-2-yn-1-amine is sourced from PubChem (CID 62339520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).