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

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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).