N-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine

C15H18ClN3 — CID 63988984

IUPACN-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)c1ccncn1
InChIInChI=1S/C15H18ClN3/c1-2-8-18-15(14-7-9-17-11-19-14)10-12-3-5-13(16)6-4-12/h3-7,9,11,15,18H,2,8,10H2,1H3
InChIKeyBWKZWSOIQBKJRR-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.41
Rot. Bonds6

About N-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine

N-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine (PubChem CID 63988984) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
PubChem CID63988984
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)c1ccncn1
InChIInChI=1S/C15H18ClN3/c1-2-8-18-15(14-7-9-17-11-19-14)10-12-3-5-13(16)6-4-12/h3-7,9,11,15,18H,2,8,10H2,1H3
InChIKeyBWKZWSOIQBKJRR-UHFFFAOYSA-N
XLogP3.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chloro-2-fluorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 114855708
N-[2-(3,5-dimethylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63990004
N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63990215
N-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 79748221
N-propyl-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986807
N-[2-(5-bromothiophen-2-yl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63989185
4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine
CID 63988767
N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62791433
N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105085259
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 114855706
5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine
CID 113327036
N-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63989184

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine (CID 63988984) is N-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)cc1)c1ccncn1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine?
The InChIKey is BWKZWSOIQBKJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-2-8-18-15(14-7-9-17-11-19-14)10-12-3-5-13(16)6-4-12/h3-7,9,11,15,18H,2,8,10H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine?
N-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 63988984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).