2-(4-tert-butylphenyl)-6-chloro-5-methylpyrimidin-4-amine

C15H18ClN3 — CID 155732079

IUPAC2-(4-tert-butylphenyl)-6-chloro-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(-c2ccc(C(C)(C)C)cc2)nc1Cl
InChIInChI=1S/C15H18ClN3/c1-9-12(16)18-14(19-13(9)17)10-5-7-11(8-6-10)15(2,3)4/h5-8H,1-4H3,(H2,17,18,19)
InChIKeyIHIZOEHLJKNOLB-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.99
Rot. Bonds1

About 2-(4-tert-butylphenyl)-6-chloro-5-methylpyrimidin-4-amine

2-(4-tert-butylphenyl)-6-chloro-5-methylpyrimidin-4-amine (PubChem CID 155732079) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-6-chloro-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-6-chloro-5-methylpyrimidin-4-amine
PubChem CID155732079
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name2-(4-tert-butylphenyl)-6-chloro-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(-c2ccc(C(C)(C)C)cc2)nc1Cl
InChIInChI=1S/C15H18ClN3/c1-9-12(16)18-14(19-13(9)17)10-5-7-11(8-6-10)15(2,3)4/h5-8H,1-4H3,(H2,17,18,19)
InChIKeyIHIZOEHLJKNOLB-UHFFFAOYSA-N
XLogP3.99
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenyl)quinazolin-4-amine
CID 23762885
4,6-dichloro-5-methyl-2-pyridin-4-ylpyrimidine
CID 63612812
2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine
CID 63613484
2-(4-tert-butylphenyl)-5-chloropyrimidine
CID 90450772
2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
CID 58261754
4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine
CID 60996954
2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 170722335
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
6-tert-butyl-2-(4-chlorophenyl)-5-iodopyrimidin-4-amine
CID 66307224
6-chloro-5-methyl-2-pyridin-2-ylpyrimidin-4-amine;ethane
CID 142506928
4-[4,6-bis[4-(4-tert-butylanilino)phenyl]-1,3,5-triazin-2-yl]-N-(4-tert-butylphenyl)aniline
CID 163749792
2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 67335182

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-6-chloro-5-methylpyrimidin-4-amine?
The IUPAC name of 2-(4-tert-butylphenyl)-6-chloro-5-methylpyrimidin-4-amine (CID 155732079) is 2-(4-tert-butylphenyl)-6-chloro-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-6-chloro-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-(4-tert-butylphenyl)-6-chloro-5-methylpyrimidin-4-amine is Cc1c(N)nc(-c2ccc(C(C)(C)C)cc2)nc1Cl.
What is the InChIKey of 2-(4-tert-butylphenyl)-6-chloro-5-methylpyrimidin-4-amine?
The InChIKey is IHIZOEHLJKNOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-9-12(16)18-14(19-13(9)17)10-5-7-11(8-6-10)15(2,3)4/h5-8H,1-4H3,(H2,17,18,19).
What are the key properties of 2-(4-tert-butylphenyl)-6-chloro-5-methylpyrimidin-4-amine?
2-(4-tert-butylphenyl)-6-chloro-5-methylpyrimidin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-6-chloro-5-methylpyrimidin-4-amine is sourced from PubChem (CID 155732079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).