2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine

C15H21N5S — CID 80990005

IUPAC2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(Sc2nccc(C)n2)c1C
InChIInChI=1S/C15H21N5S/c1-9-7-8-17-14(18-9)21-12-10(2)11(16-6)19-13(20-12)15(3,4)5/h7-8H,1-6H3,(H,16,19,20)
InChIKeyLOKCTSDWNQXAMK-UHFFFAOYSA-N
MW303.44 g/mol
LogP3.37
Rot. Bonds3

About 2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine

2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine (PubChem CID 80990005) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
PubChem CID80990005
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(Sc2nccc(C)n2)c1C
InChIInChI=1S/C15H21N5S/c1-9-7-8-17-14(18-9)21-12-10(2)11(16-6)19-13(20-12)15(3,4)5/h7-8H,1-6H3,(H,16,19,20)
InChIKeyLOKCTSDWNQXAMK-UHFFFAOYSA-N
XLogP3.37
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-{[(4,6-Dimethyl-2-pyrimidinyl)thio]methyl}-2-methyl-4-pyrimidinamine
CID 977333
2-Chloro-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidine
CID 79075709
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluoro-N-propylpyrimidin-2-amine
CID 80891837
N-ethyl-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80892128
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80892436
5-fluoro-N-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80892497
5-Fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80892499
5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80892724
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine
CID 80892738
[5-Fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine
CID 80923679
1-Methyl-3-[4-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea
CID 100773724
1-Ethyl-3-[4-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea
CID 100774397

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine (CID 80990005) is 2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine is CNc1nc(C(C)(C)C)nc(Sc2nccc(C)n2)c1C.
What is the InChIKey of 2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
The InChIKey is LOKCTSDWNQXAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-9-7-8-17-14(18-9)21-12-10(2)11(16-6)19-13(20-12)15(3,4)5/h7-8H,1-6H3,(H,16,19,20).
What are the key properties of 2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine has a molecular weight of 303.44 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80990005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).