N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine

C17H22ClN3 — CID 80939572

IUPACN-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine
SMILESCCCCc1ccc(Nc2cc(Cl)nc(CCC)n2)cc1
InChIInChI=1S/C17H22ClN3/c1-3-5-7-13-8-10-14(11-9-13)19-17-12-15(18)20-16(21-17)6-4-2/h8-12H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyLITCCVLWZDQWPS-UHFFFAOYSA-N
MW303.84 g/mol
LogP5.17
Rot. Bonds7

About N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine

N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine (PubChem CID 80939572) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine
PubChem CID80939572
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine
SMILESCCCCc1ccc(Nc2cc(Cl)nc(CCC)n2)cc1
InChIInChI=1S/C17H22ClN3/c1-3-5-7-13-8-10-14(11-9-13)19-17-12-15(18)20-16(21-17)6-4-2/h8-12H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyLITCCVLWZDQWPS-UHFFFAOYSA-N
XLogP5.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.84
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine
CID 80939171
6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine
CID 80938749
N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine
CID 80946343
N-(4-butylphenyl)-4-chloro-6-methylpyrimidin-2-amine
CID 12578912
N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876804
N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80895220
6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80939820
6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine
CID 80938347
6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine
CID 80939396
2-(6-chloro-2-propylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83020436
6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine
CID 80940743
N-(6-chloro-2-propylpyrimidin-4-yl)quinolin-5-amine
CID 80939768

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine?
The IUPAC name of N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine (CID 80939572) is N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine?
The canonical SMILES for N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine is CCCCc1ccc(Nc2cc(Cl)nc(CCC)n2)cc1.
What is the InChIKey of N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine?
The InChIKey is LITCCVLWZDQWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-3-5-7-13-8-10-14(11-9-13)19-17-12-15(18)20-16(21-17)6-4-2/h8-12H,3-7H2,1-2H3,(H,19,20,21).
What are the key properties of N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine?
N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine has a molecular weight of 303.84 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80939572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).