2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine

C15H22N4S2 — CID 80989793

IUPAC2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESCCCNc1nc(C(C)(C)C)nc(Sc2nccs2)c1C
InChIInChI=1S/C15H22N4S2/c1-6-7-16-11-10(2)12(21-14-17-8-9-20-14)19-13(18-11)15(3,4)5/h8-9H,6-7H2,1-5H3,(H,16,18,19)
InChIKeyHZQLWRORASLRDI-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.51
Rot. Bonds5

About 2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine

2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine (PubChem CID 80989793) has the molecular formula C15H22N4S2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
PubChem CID80989793
Molecular FormulaC15H22N4S2
Molecular Weight322.50 g/mol
Exact Mass322.13
IUPAC Name2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESCCCNc1nc(C(C)(C)C)nc(Sc2nccs2)c1C
InChIInChI=1S/C15H22N4S2/c1-6-7-16-11-10(2)12(21-14-17-8-9-20-14)19-13(18-11)15(3,4)5/h8-9H,6-7H2,1-5H3,(H,16,18,19)
InChIKeyHZQLWRORASLRDI-UHFFFAOYSA-N
XLogP4.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80990587
2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838647
5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886409
3-[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772853
2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine
CID 80982152
2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80987650
2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
CID 80990667
2-ethyl-5-methyl-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80991390
2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80977294
2,5-dimethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 79820299
6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine
CID 80988066
2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine
CID 107785070

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine (CID 80989793) is 2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine is CCCNc1nc(C(C)(C)C)nc(Sc2nccs2)c1C.
What is the InChIKey of 2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is HZQLWRORASLRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S2/c1-6-7-16-11-10(2)12(21-14-17-8-9-20-14)19-13(18-11)15(3,4)5/h8-9H,6-7H2,1-5H3,(H,16,18,19).
What are the key properties of 2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine?
2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 322.50 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 80989793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).