4-(3-cyclopropylpyrazol-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine

C15H17N5S — CID 103331118

IUPAC4-(3-cyclopropylpyrazol-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(-n3ccc(C4CC4)n3)nc(NC)nc2s1
InChIInChI=1S/C15H17N5S/c1-3-10-8-11-13(17-15(16-2)18-14(11)21-10)20-7-6-12(19-20)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyUKOPPXSPRKSPIZ-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.36
Rot. Bonds4

About 4-(3-cyclopropylpyrazol-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine

4-(3-cyclopropylpyrazol-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331118) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(3-cyclopropylpyrazol-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-cyclopropylpyrazol-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103331118
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name4-(3-cyclopropylpyrazol-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(-n3ccc(C4CC4)n3)nc(NC)nc2s1
InChIInChI=1S/C15H17N5S/c1-3-10-8-11-13(17-15(16-2)18-14(11)21-10)20-7-6-12(19-20)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyUKOPPXSPRKSPIZ-UHFFFAOYSA-N
XLogP3.36
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylpyrazol-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3-cyclopropylpyrazol-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine (CID 103331118) is 4-(3-cyclopropylpyrazol-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-cyclopropylpyrazol-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3-cyclopropylpyrazol-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine is CCc1cc2c(-n3ccc(C4CC4)n3)nc(NC)nc2s1.
What is the InChIKey of 4-(3-cyclopropylpyrazol-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is UKOPPXSPRKSPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-3-10-8-11-13(17-15(16-2)18-14(11)21-10)20-7-6-12(19-20)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(3-cyclopropylpyrazol-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine?
4-(3-cyclopropylpyrazol-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 299.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylpyrazol-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).