2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine

C19H16N4S2 — CID 45275713

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc(-c2nc(N)c3cc(C4(c5ccccc5)CC4)sc3n2)n1
InChIInChI=1S/C19H16N4S2/c1-11-10-24-18(21-11)16-22-15(20)13-9-14(25-17(13)23-16)19(7-8-19)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H2,20,22,23)
InChIKeyNEGXZKPQYUOIFO-UHFFFAOYSA-N
MW364.50 g/mol
LogP4.79
Rot. Bonds3

About 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine

2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45275713) has the molecular formula C19H16N4S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45275713
Molecular FormulaC19H16N4S2
Molecular Weight364.50 g/mol
Exact Mass364.08
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc(-c2nc(N)c3cc(C4(c5ccccc5)CC4)sc3n2)n1
InChIInChI=1S/C19H16N4S2/c1-11-10-24-18(21-11)16-22-15(20)13-9-14(25-17(13)23-16)19(7-8-19)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H2,20,22,23)
InChIKeyNEGXZKPQYUOIFO-UHFFFAOYSA-N
XLogP4.79
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine (CID 45275713) is 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine is Cc1csc(-c2nc(N)c3cc(C4(c5ccccc5)CC4)sc3n2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NEGXZKPQYUOIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S2/c1-11-10-24-18(21-11)16-22-15(20)13-9-14(25-17(13)23-16)19(7-8-19)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H2,20,22,23).
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine?
2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 364.50 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45275713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).