2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine

C14H19N5S2 — CID 80990210

IUPAC2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CC2)nc(Sc2nnc(C)s2)c1C
InChIInChI=1S/C14H19N5S2/c1-4-7-15-11-8(2)13(17-12(16-11)10-5-6-10)21-14-19-18-9(3)20-14/h10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyPENMKSNILPBNOZ-UHFFFAOYSA-N
MW321.48 g/mol
LogP3.80
Rot. Bonds6

About 2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine

2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine (PubChem CID 80990210) has the molecular formula C14H19N5S2 and a molecular weight of 321.48 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
PubChem CID80990210
Molecular FormulaC14H19N5S2
Molecular Weight321.48 g/mol
Exact Mass321.11
IUPAC Name2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CC2)nc(Sc2nnc(C)s2)c1C
InChIInChI=1S/C14H19N5S2/c1-4-7-15-11-8(2)13(17-12(16-11)10-5-6-10)21-14-19-18-9(3)20-14/h10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyPENMKSNILPBNOZ-UHFFFAOYSA-N
XLogP3.80
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine with MolForge

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Related Compounds

2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990970
2-cyclopropyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80990773
5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80885817
2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
CID 80995160
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633
5-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80990298
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine
CID 106497829
2-cyclopropyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N,5-dimethylpyrimidin-4-amine
CID 80994586
2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63485968
2-cyclopropyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80976122
2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984435

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine (CID 80990210) is 2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine is CCCNc1nc(C2CC2)nc(Sc2nnc(C)s2)c1C.
What is the InChIKey of 2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The InChIKey is PENMKSNILPBNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S2/c1-4-7-15-11-8(2)13(17-12(16-11)10-5-6-10)21-14-19-18-9(3)20-14/h10H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine?
2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine has a molecular weight of 321.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80990210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).