2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-5-methylpyrimidin-4-amine

C16H19F2N3 — CID 82804234

IUPAC2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-5-methylpyrimidin-4-amine
SMILESCc1ccc(F)c(-c2nc(C(C)(C)C)nc(N)c2C)c1F
InChIInChI=1S/C16H19F2N3/c1-8-6-7-10(17)11(12(8)18)13-9(2)14(19)21-15(20-13)16(3,4)5/h6-7H,1-5H3,(H2,19,20,21)
InChIKeyRFVIDAUWCJXSNR-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.92
Rot. Bonds1

About 2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-5-methylpyrimidin-4-amine

2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-5-methylpyrimidin-4-amine (PubChem CID 82804234) has the molecular formula C16H19F2N3 and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-5-methylpyrimidin-4-amine
PubChem CID82804234
Molecular FormulaC16H19F2N3
Molecular Weight291.34 g/mol
Exact Mass291.15
IUPAC Name2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-5-methylpyrimidin-4-amine
SMILESCc1ccc(F)c(-c2nc(C(C)(C)C)nc(N)c2C)c1F
InChIInChI=1S/C16H19F2N3/c1-8-6-7-10(17)11(12(8)18)13-9(2)14(19)21-15(20-13)16(3,4)5/h6-7H,1-5H3,(H2,19,20,21)
InChIKeyRFVIDAUWCJXSNR-UHFFFAOYSA-N
XLogP3.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.92
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
4-Amino-2,6-diphenylpyrimidine-5-carbonitrile
CID 2303947
5-(4-Tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine
CID 10945514

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-5-methylpyrimidin-4-amine (CID 82804234) is 2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-5-methylpyrimidin-4-amine is Cc1ccc(F)c(-c2nc(C(C)(C)C)nc(N)c2C)c1F.
What is the InChIKey of 2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-5-methylpyrimidin-4-amine?
The InChIKey is RFVIDAUWCJXSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-8-6-7-10(17)11(12(8)18)13-9(2)14(19)21-15(20-13)16(3,4)5/h6-7H,1-5H3,(H2,19,20,21).
What are the key properties of 2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-5-methylpyrimidin-4-amine?
2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-5-methylpyrimidin-4-amine has a molecular weight of 291.34 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 82804234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).