6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine

C17H22ClN3 — CID 80969852

IUPAC6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(CCC)nc(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C17H22ClN3/c1-4-6-15-20-16(13-7-9-14(18)10-8-13)12(3)17(21-15)19-11-5-2/h7-10H,4-6,11H2,1-3H3,(H,19,20,21)
InChIKeyWZRXVZVTOWTTKF-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.88
Rot. Bonds6

About 6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine

6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine (PubChem CID 80969852) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
PubChem CID80969852
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(CCC)nc(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C17H22ClN3/c1-4-6-15-20-16(13-7-9-14(18)10-8-13)12(3)17(21-15)19-11-5-2/h7-10H,4-6,11H2,1-3H3,(H,19,20,21)
InChIKeyWZRXVZVTOWTTKF-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-fluorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80977523
5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine
CID 80976401
5-methyl-6-(1-methylpyrazol-3-yl)-N,2-dipropylpyrimidin-4-amine
CID 103132116
6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80974794
2-ethyl-6-(4-fluoro-3-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 80978174
2-ethyl-6-(3-fluoro-4-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 115502692
6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80977454
6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 115504238
6-(1-ethylimidazol-2-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80974842
6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80977253
2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine
CID 80975147
4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine
CID 80975301

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine?
The IUPAC name of 6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine (CID 80969852) is 6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine is CCCNc1nc(CCC)nc(-c2ccc(Cl)cc2)c1C.
What is the InChIKey of 6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine?
The InChIKey is WZRXVZVTOWTTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-4-6-15-20-16(13-7-9-14(18)10-8-13)12(3)17(21-15)19-11-5-2/h7-10H,4-6,11H2,1-3H3,(H,19,20,21).
What are the key properties of 6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine?
6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine has a molecular weight of 303.84 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine is sourced from PubChem (CID 80969852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).