6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine

C17H22ClN3 — CID 106193555

IUPAC6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC(C)c1ccc(CC)cc1
InChIInChI=1S/C17H22ClN3/c1-4-6-15-16(18)19-11-20-17(15)21-12(3)14-9-7-13(5-2)8-10-14/h7-12H,4-6H2,1-3H3,(H,19,20,21)
InChIKeyZNDIIQQNMHAYEE-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.82
Rot. Bonds6

About 6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine

6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine (PubChem CID 106193555) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine
PubChem CID106193555
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC(C)c1ccc(CC)cc1
InChIInChI=1S/C17H22ClN3/c1-4-6-15-16(18)19-11-20-17(15)21-12(3)14-9-7-13(5-2)8-10-14/h7-12H,4-6H2,1-3H3,(H,19,20,21)
InChIKeyZNDIIQQNMHAYEE-UHFFFAOYSA-N
XLogP4.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
CID 106193524
6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine
CID 63730152
6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine
CID 63735620
6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 15916585
6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine
CID 63729127
6-chloro-N-[1-(2-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine
CID 63729819
6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 80901929
4-N-[1-(4-chlorophenyl)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80802117
3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine
CID 60701697
N-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66327874
N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine
CID 66342777
N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63736451

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine (CID 106193555) is 6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1NC(C)c1ccc(CC)cc1.
What is the InChIKey of 6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine?
The InChIKey is ZNDIIQQNMHAYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-4-6-15-16(18)19-11-20-17(15)21-12(3)14-9-7-13(5-2)8-10-14/h7-12H,4-6H2,1-3H3,(H,19,20,21).
What are the key properties of 6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine?
6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine has a molecular weight of 303.84 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 106193555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).