2-tert-butyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine

C15H23N5S — CID 80963512

IUPAC2-tert-butyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2cnn(C)c2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H23N5S/c1-6-7-16-12-8-13(19-14(18-12)15(2,3)4)21-11-9-17-20(5)10-11/h8-10H,6-7H2,1-5H3,(H,16,18,19)
InChIKeyPSKOGDOIXUBLKV-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.48
Rot. Bonds5

About 2-tert-butyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine

2-tert-butyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine (PubChem CID 80963512) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-tert-butyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine
PubChem CID80963512
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name2-tert-butyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2cnn(C)c2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H23N5S/c1-6-7-16-12-8-13(19-14(18-12)15(2,3)4)21-11-9-17-20(5)10-11/h8-10H,6-7H2,1-5H3,(H,16,18,19)
InChIKeyPSKOGDOIXUBLKV-UHFFFAOYSA-N
XLogP3.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80962854
6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine
CID 80891650
2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 80953067
4-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80891725
N-ethyl-6-(1-methylpyrazol-4-yl)sulfanyl-2-methylsulfanylpyrimidin-4-amine
CID 80892324
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775300
N-ethyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566792
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774979
2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959824
6-(1-methylpyrazol-4-yl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716615
2-(1-methylpyrazol-4-yl)sulfanyl-6-propylpyridine-4-carboxylic acid
CID 113380392

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine (CID 80963512) is 2-tert-butyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine is CCCNc1cc(Sc2cnn(C)c2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine?
The InChIKey is PSKOGDOIXUBLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-6-7-16-12-8-13(19-14(18-12)15(2,3)4)21-11-9-17-20(5)10-11/h8-10H,6-7H2,1-5H3,(H,16,18,19).
What are the key properties of 2-tert-butyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine?
2-tert-butyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine has a molecular weight of 305.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80963512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).