N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine

C16H21N3 — CID 16876804

IUPACN-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine
SMILESCCCCc1ccc(Nc2cc(C)nc(C)n2)cc1
InChIInChI=1S/C16H21N3/c1-4-5-6-14-7-9-15(10-8-14)19-16-11-12(2)17-13(3)18-16/h7-11H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyFQELULSDUPMATI-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.18
Rot. Bonds5

About N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine

N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine (PubChem CID 16876804) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine
PubChem CID16876804
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine
SMILESCCCCc1ccc(Nc2cc(C)nc(C)n2)cc1
InChIInChI=1S/C16H21N3/c1-4-5-6-14-7-9-15(10-8-14)19-16-11-12(2)17-13(3)18-16/h7-11H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyFQELULSDUPMATI-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80895220
1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 22695662
N-(4-butylphenyl)-4-chloro-6-methylpyrimidin-2-amine
CID 12578912
N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 80939572
N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106561516
4-N-(4-butylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80779326
4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112925498
2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine
CID 79020710
N-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine
CID 106561499
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877576
6-N-butyl-4-N-(4-tert-butylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867942

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine (CID 16876804) is N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine is CCCCc1ccc(Nc2cc(C)nc(C)n2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine?
The InChIKey is FQELULSDUPMATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-5-6-14-7-9-15(10-8-14)19-16-11-12(2)17-13(3)18-16/h7-11H,4-6H2,1-3H3,(H,17,18,19).
What are the key properties of N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine?
N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine has a molecular weight of 255.36 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 16876804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).