2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine

C14H14Cl3N3 — CID 80948773

IUPAC2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(Cl)cc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C14H14Cl3N3/c1-14(2,3)13-19-10(16)7-11(20-13)18-9-6-4-5-8(15)12(9)17/h4-7H,1-3H3,(H,18,19,20)
InChIKeyQQOGUHUKFVZHHF-UHFFFAOYSA-N
MW330.65 g/mol
LogP5.48
Rot. Bonds2

About 2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine

2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine (PubChem CID 80948773) has the molecular formula C14H14Cl3N3 and a molecular weight of 330.65 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine
PubChem CID80948773
Molecular FormulaC14H14Cl3N3
Molecular Weight330.65 g/mol
Exact Mass329.03
IUPAC Name2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(Cl)cc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C14H14Cl3N3/c1-14(2,3)13-19-10(16)7-11(20-13)18-9-6-4-5-8(15)12(9)17/h4-7H,1-3H3,(H,18,19,20)
InChIKeyQQOGUHUKFVZHHF-UHFFFAOYSA-N
XLogP5.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.65
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-6-chloro-N-(2-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 80948283
6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766928
3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80947200
N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine
CID 80948291
2-tert-butyl-6-chloro-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80948595
6-N-(2,3-dichlorophenyl)-2-N-propylpyridine-2,6-diamine
CID 80754904
2,6-dichloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 88722654
4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876944
2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile
CID 114765804
4-N-(2,3-dichlorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867819
N-(3-bromo-4-methylphenyl)-2-tert-butyl-6-chloropyrimidin-4-amine
CID 80951056

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine (CID 80948773) is 2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine is CC(C)(C)c1nc(Cl)cc(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine?
The InChIKey is QQOGUHUKFVZHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl3N3/c1-14(2,3)13-19-10(16)7-11(20-13)18-9-6-4-5-8(15)12(9)17/h4-7H,1-3H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine?
2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine has a molecular weight of 330.65 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 80948773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).