6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine

C13H13Cl2N3 — CID 175661994

IUPAC6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine
SMILESClc1ccc(CCCNc2cc(Cl)ncn2)cc1
InChIInChI=1S/C13H13Cl2N3/c14-11-5-3-10(4-6-11)2-1-7-16-13-8-12(15)17-9-18-13/h3-6,8-9H,1-2,7H2,(H,16,17,18)
InChIKeyAGTQAWBQIWOBBD-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.83
Rot. Bonds5

About 6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine

6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine (PubChem CID 175661994) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine
PubChem CID175661994
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine
SMILESClc1ccc(CCCNc2cc(Cl)ncn2)cc1
InChIInChI=1S/C13H13Cl2N3/c14-11-5-3-10(4-6-11)2-1-7-16-13-8-12(15)17-9-18-13/h3-6,8-9H,1-2,7H2,(H,16,17,18)
InChIKeyAGTQAWBQIWOBBD-UHFFFAOYSA-N
XLogP3.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986
N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80899019
N-[(4-chlorophenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109348771
6-chloro-N-[2-(4-nitrophenyl)ethyl]pyrimidin-4-amine
CID 114156623
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633
6-[2-(4-chlorophenyl)ethylamino]-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109352329
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
CID 62533114
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859177
N-(6-chloropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 56832156
6-chloro-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 53410275
5-[(6-chloropyrimidin-4-yl)amino]pentanamide
CID 106239916
N-[2-(1,3-benzoxazol-6-yl)ethyl]-6-chloropyrimidin-4-amine
CID 135380621

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine (CID 175661994) is 6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine is Clc1ccc(CCCNc2cc(Cl)ncn2)cc1.
What is the InChIKey of 6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine?
The InChIKey is AGTQAWBQIWOBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c14-11-5-3-10(4-6-11)2-1-7-16-13-8-12(15)17-9-18-13/h3-6,8-9H,1-2,7H2,(H,16,17,18).
What are the key properties of 6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine?
6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine has a molecular weight of 282.17 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 175661994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).