4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-thiophen-2-ylsulfanylpyrimidin-2-amine

C16H18N6S2 — CID 70737878

IUPAC4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-thiophen-2-ylsulfanylpyrimidin-2-amine
SMILESNc1nc(Sc2cccs2)cc(N2CCCC(c3ncc[nH]3)C2)n1
InChIInChI=1S/C16H18N6S2/c17-16-20-12(9-13(21-16)24-14-4-2-8-23-14)22-7-1-3-11(10-22)15-18-5-6-19-15/h2,4-6,8-9,11H,1,3,7,10H2,(H,18,19)(H2,17,20,21)
InChIKeyIFDKJZFZSZBGBL-UHFFFAOYSA-N
MW358.50 g/mol
LogP3.38
Rot. Bonds4

About 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-thiophen-2-ylsulfanylpyrimidin-2-amine

4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-thiophen-2-ylsulfanylpyrimidin-2-amine (PubChem CID 70737878) has the molecular formula C16H18N6S2 and a molecular weight of 358.50 g/mol. Its IUPAC name is 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-thiophen-2-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-thiophen-2-ylsulfanylpyrimidin-2-amine
PubChem CID70737878
Molecular FormulaC16H18N6S2
Molecular Weight358.50 g/mol
Exact Mass358.10
IUPAC Name4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-thiophen-2-ylsulfanylpyrimidin-2-amine
SMILESNc1nc(Sc2cccs2)cc(N2CCCC(c3ncc[nH]3)C2)n1
InChIInChI=1S/C16H18N6S2/c17-16-20-12(9-13(21-16)24-14-4-2-8-23-14)22-7-1-3-11(10-22)15-18-5-6-19-15/h2,4-6,8-9,11H,1,3,7,10H2,(H,18,19)(H2,17,20,21)
InChIKeyIFDKJZFZSZBGBL-UHFFFAOYSA-N
XLogP3.38
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine
CID 70730935
4-thiophen-2-ylsulfanyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine
CID 56864774
4-thiophen-2-ylsulfanyl-6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine
CID 95469034
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrazine
CID 133448364
4-(difluoromethyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine
CID 166270987
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline
CID 127741692
(5R)-2-(2-amino-6-thiophen-2-ylsulfanylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97200755
1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70718470
4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylquinoline
CID 133448347
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 133448356
4-amino-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 131900302
methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 133448398

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-thiophen-2-ylsulfanylpyrimidin-2-amine?
The IUPAC name of 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-thiophen-2-ylsulfanylpyrimidin-2-amine (CID 70737878) is 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-thiophen-2-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-thiophen-2-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-thiophen-2-ylsulfanylpyrimidin-2-amine is Nc1nc(Sc2cccs2)cc(N2CCCC(c3ncc[nH]3)C2)n1.
What is the InChIKey of 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-thiophen-2-ylsulfanylpyrimidin-2-amine?
The InChIKey is IFDKJZFZSZBGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S2/c17-16-20-12(9-13(21-16)24-14-4-2-8-23-14)22-7-1-3-11(10-22)15-18-5-6-19-15/h2,4-6,8-9,11H,1,3,7,10H2,(H,18,19)(H2,17,20,21).
What are the key properties of 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-thiophen-2-ylsulfanylpyrimidin-2-amine?
4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-thiophen-2-ylsulfanylpyrimidin-2-amine has a molecular weight of 358.50 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-thiophen-2-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 70737878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).