2-tert-butyl-6-(3,4-dichlorophenyl)sulfanylpyrimidin-4-amine

C14H15Cl2N3S — CID 80965067

IUPAC2-tert-butyl-6-(3,4-dichlorophenyl)sulfanylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(N)cc(Sc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H15Cl2N3S/c1-14(2,3)13-18-11(17)7-12(19-13)20-8-4-5-9(15)10(16)6-8/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyBLZKEJHDHCNGDU-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.81
Rot. Bonds2

About 2-tert-butyl-6-(3,4-dichlorophenyl)sulfanylpyrimidin-4-amine

2-tert-butyl-6-(3,4-dichlorophenyl)sulfanylpyrimidin-4-amine (PubChem CID 80965067) has the molecular formula C14H15Cl2N3S and a molecular weight of 328.27 g/mol. Its IUPAC name is 2-tert-butyl-6-(3,4-dichlorophenyl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(3,4-dichlorophenyl)sulfanylpyrimidin-4-amine
PubChem CID80965067
Molecular FormulaC14H15Cl2N3S
Molecular Weight328.27 g/mol
Exact Mass327.04
IUPAC Name2-tert-butyl-6-(3,4-dichlorophenyl)sulfanylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(N)cc(Sc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H15Cl2N3S/c1-14(2,3)13-18-11(17)7-12(19-13)20-8-4-5-9(15)10(16)6-8/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyBLZKEJHDHCNGDU-UHFFFAOYSA-N
XLogP4.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-6-(3,4-dichlorophenyl)sulfanylpyrimidin-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

6-(3,4-dichlorophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80963744
2-tert-butyl-6-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-amine
CID 114793059
2-tert-butyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine
CID 80963270
2-tert-butyl-4-chloro-6-(4-methylphenyl)sulfanylpyrimidine
CID 80951331
6-(3,4-dimethylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774896
6-[(5-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-amine
CID 80963946
2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80963962
2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80962639
2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine
CID 80963065
2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765899
[2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769905
6-(4-tert-butylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80962911

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(3,4-dichlorophenyl)sulfanylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(3,4-dichlorophenyl)sulfanylpyrimidin-4-amine (CID 80965067) is 2-tert-butyl-6-(3,4-dichlorophenyl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(3,4-dichlorophenyl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(3,4-dichlorophenyl)sulfanylpyrimidin-4-amine is CC(C)(C)c1nc(N)cc(Sc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-tert-butyl-6-(3,4-dichlorophenyl)sulfanylpyrimidin-4-amine?
The InChIKey is BLZKEJHDHCNGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3S/c1-14(2,3)13-18-11(17)7-12(19-13)20-8-4-5-9(15)10(16)6-8/h4-7H,1-3H3,(H2,17,18,19).
What are the key properties of 2-tert-butyl-6-(3,4-dichlorophenyl)sulfanylpyrimidin-4-amine?
2-tert-butyl-6-(3,4-dichlorophenyl)sulfanylpyrimidin-4-amine has a molecular weight of 328.27 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3,4-dichlorophenyl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80965067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).