6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine

C16H21N3 — CID 62202644

IUPAC6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCCCc1cc(N)nc(-c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C16H21N3/c1-5-6-13-9-14(17)19-16(18-13)15-11(3)7-10(2)8-12(15)4/h7-9H,5-6H2,1-4H3,(H2,17,18,19)
InChIKeyGTRNKGAAEVJHCM-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.60
Rot. Bonds3

About 6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine

6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine (PubChem CID 62202644) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
PubChem CID62202644
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCCCc1cc(N)nc(-c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C16H21N3/c1-5-6-13-9-14(17)19-16(18-13)15-11(3)7-10(2)8-12(15)4/h7-9H,5-6H2,1-4H3,(H2,17,18,19)
InChIKeyGTRNKGAAEVJHCM-UHFFFAOYSA-N
XLogP3.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 196968
4,6-Diphenylpyrimidin-2-amine
CID 619024
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
4-Amino-2,6-diphenylpyrimidine
CID 619020
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077

Frequently Asked Questions

What is the IUPAC name of 6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine (CID 62202644) is 6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine is CCCc1cc(N)nc(-c2c(C)cc(C)cc2C)n1.
What is the InChIKey of 6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The InChIKey is GTRNKGAAEVJHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-5-6-13-9-14(17)19-16(18-13)15-11(3)7-10(2)8-12(15)4/h7-9H,5-6H2,1-4H3,(H2,17,18,19).
What are the key properties of 6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine has a molecular weight of 255.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 62202644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).