N-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine

C14H16ClN3 — CID 107587805

IUPACN-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine
SMILESCCCC(Nc1cncnc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3/c1-2-3-14(11-4-6-12(15)7-5-11)18-13-8-16-10-17-9-13/h4-10,14,18H,2-3H2,1H3
InChIKeyBJOJUXFIFQOTHP-UHFFFAOYSA-N
MW261.76 g/mol
LogP4.08
Rot. Bonds5

About N-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine

N-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine (PubChem CID 107587805) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine
PubChem CID107587805
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine
SMILESCCCC(Nc1cncnc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3/c1-2-3-14(11-4-6-12(15)7-5-11)18-13-8-16-10-17-9-13/h4-10,14,18H,2-3H2,1H3
InChIKeyBJOJUXFIFQOTHP-UHFFFAOYSA-N
XLogP4.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)butyl]thiophen-3-amine
CID 66352085
N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline
CID 4712113
N-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43728872
2,6-dichloro-N-[1-(4-chlorophenyl)butyl]aniline
CID 65467204
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 43200651
1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine
CID 43204940
1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43106646
N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 62489847
5-methyl-N-(1-phenylbutyl)pyridin-3-amine
CID 113354141
1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine
CID 63451823
N-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline
CID 43107521

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine?
The IUPAC name of N-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine (CID 107587805) is N-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine is CCCC(Nc1cncnc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine?
The InChIKey is BJOJUXFIFQOTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-2-3-14(11-4-6-12(15)7-5-11)18-13-8-16-10-17-9-13/h4-10,14,18H,2-3H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine?
N-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine has a molecular weight of 261.76 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine is sourced from PubChem (CID 107587805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).