2-cyclopropyl-5-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C18H16N6S — CID 154740591

IUPAC2-cyclopropyl-5-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2csc3nc(C4CC4)nc(NCc4ncn[nH]4)c23)cc1
InChIInChI=1S/C18H16N6S/c1-2-4-11(5-3-1)13-9-25-18-15(13)17(19-8-14-20-10-21-24-14)22-16(23-18)12-6-7-12/h1-5,9-10,12H,6-8H2,(H,19,22,23)(H,20,21,24)
InChIKeyDDSDRMRPBPMKBR-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.97
Rot. Bonds5

About 2-cyclopropyl-5-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-cyclopropyl-5-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 154740591) has the molecular formula C18H16N6S and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-cyclopropyl-5-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID154740591
Molecular FormulaC18H16N6S
Molecular Weight348.44 g/mol
Exact Mass348.12
IUPAC Name2-cyclopropyl-5-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2csc3nc(C4CC4)nc(NCc4ncn[nH]4)c23)cc1
InChIInChI=1S/C18H16N6S/c1-2-4-11(5-3-1)13-9-25-18-15(13)17(19-8-14-20-10-21-24-14)22-16(23-18)12-6-7-12/h1-5,9-10,12H,6-8H2,(H,19,22,23)(H,20,21,24)
InChIKeyDDSDRMRPBPMKBR-UHFFFAOYSA-N
XLogP3.97
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-5-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

3-[[(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137271851
2-cyclopropyl-N-(1H-imidazol-5-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 71857694
5-[[(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487606
2-cyclopropyl-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 75450311
2-(methoxymethyl)-5-phenyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 97253810
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 75457555
2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 93214379
5-phenyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9280016
5-phenyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68623687
5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile
CID 67382151
2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11360029
N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166060910

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-5-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 154740591) is 2-cyclopropyl-5-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-5-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is c1ccc(-c2csc3nc(C4CC4)nc(NCc4ncn[nH]4)c23)cc1.
What is the InChIKey of 2-cyclopropyl-5-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DDSDRMRPBPMKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6S/c1-2-4-11(5-3-1)13-9-25-18-15(13)17(19-8-14-20-10-21-24-14)22-16(23-18)12-6-7-12/h1-5,9-10,12H,6-8H2,(H,19,22,23)(H,20,21,24).
What are the key properties of 2-cyclopropyl-5-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-cyclopropyl-5-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 348.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 154740591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).