N-[(1S)-2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine

C13H16N6S — CID 95981839

IUPACN-[(1S)-2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc([C@@H](Nc2ncnc3sccc23)C(C)C)n[nH]1
InChIInChI=1S/C13H16N6S/c1-7(2)10(12-16-8(3)18-19-12)17-11-9-4-5-20-13(9)15-6-14-11/h4-7,10H,1-3H3,(H,14,15,17)(H,16,18,19)/t10-/m0/s1
InChIKeyNIAVNXJLGMGISW-JTQLQIEISA-N
MW288.38 g/mol
LogP2.93
Rot. Bonds4

About N-[(1S)-2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine

N-[(1S)-2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 95981839) has the molecular formula C13H16N6S and a molecular weight of 288.38 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID95981839
Molecular FormulaC13H16N6S
Molecular Weight288.38 g/mol
Exact Mass288.12
IUPAC NameN-[(1S)-2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc([C@@H](Nc2ncnc3sccc23)C(C)C)n[nH]1
InChIInChI=1S/C13H16N6S/c1-7(2)10(12-16-8(3)18-19-12)17-11-9-4-5-20-13(9)15-6-14-11/h4-7,10H,1-3H3,(H,14,15,17)(H,16,18,19)/t10-/m0/s1
InChIKeyNIAVNXJLGMGISW-JTQLQIEISA-N
XLogP2.93
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-4-methyl-5-{thieno[2,3-d]pyrimidin-4-ylsulfanyl}-4H-1,2,4-triazole
CID 17463099
3-ethyl-5-{thieno[2,3-d]pyrimidin-4-ylsulfanyl}-4H-1,2,4-triazole
CID 18168020
4-[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 53599016
N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 53609040
N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 45931314
4-[2-(1,2,4-Triazol-1-ylmethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 53567264
4-[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 53573268
4-[2-(1,2,4-Triazol-1-ylmethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 72144397
N-(sec-Butyl)thieno[2,3-d]pyrimidin-4-amine
CID 2808609
N-{cis-3-[4-methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}thieno[2,3-d]pyrimidin-4-amine
CID 91773330
1-(2-Methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 46992976
(2S)-2-N,2-N-dimethyl-1-N-(2-methylthieno[2,3-d]pyrimidin-4-yl)butane-1,2-diamine
CID 52378617

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S)-2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine (CID 95981839) is N-[(1S)-2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine is Cc1nc([C@@H](Nc2ncnc3sccc23)C(C)C)n[nH]1.
What is the InChIKey of N-[(1S)-2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NIAVNXJLGMGISW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N6S/c1-7(2)10(12-16-8(3)18-19-12)17-11-9-4-5-20-13(9)15-6-14-11/h4-7,10H,1-3H3,(H,14,15,17)(H,16,18,19)/t10-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(1S)-2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 288.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 95981839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).