N,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine

C15H19N3 — CID 170866043

IUPACN,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine
SMILESCN(C)CCCc1ccc(-c2ncccn2)cc1
InChIInChI=1S/C15H19N3/c1-18(2)12-3-5-13-6-8-14(9-7-13)15-16-10-4-11-17-15/h4,6-11H,3,5,12H2,1-2H3
InChIKeySQUOJGYWWJGMSH-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.64
Rot. Bonds5

About N,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine

N,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine (PubChem CID 170866043) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine
PubChem CID170866043
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine
SMILESCN(C)CCCc1ccc(-c2ncccn2)cc1
InChIInChI=1S/C15H19N3/c1-18(2)12-3-5-13-6-8-14(9-7-13)15-16-10-4-11-17-15/h4,6-11H,3,5,12H2,1-2H3
InChIKeySQUOJGYWWJGMSH-UHFFFAOYSA-N
XLogP2.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tripelennamine
CID 5587
Tripelennamine Hydrochloride
CID 9066
Msx-122
CID 11687907
4-Phenylpyrimidine
CID 18923
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
5-Phenyl-2,4-pyrimidinediamine
CID 134761
5-(Phenylethynyl)pyrimidine
CID 4074142
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
4-(4-Phenylphenyl)pyrimidine
CID 817541
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 25070582

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine (CID 170866043) is N,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine is CN(C)CCCc1ccc(-c2ncccn2)cc1.
What is the InChIKey of N,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine?
The InChIKey is SQUOJGYWWJGMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-18(2)12-3-5-13-6-8-14(9-7-13)15-16-10-4-11-17-15/h4,6-11H,3,5,12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine?
N,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine is sourced from PubChem (CID 170866043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).