4-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine

C11H13N5S — CID 115145015

IUPAC4-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
SMILESNc1nc2c(c(Nc3cccs3)n1)CNCC2
InChIInChI=1S/C11H13N5S/c12-11-14-8-3-4-13-6-7(8)10(16-11)15-9-2-1-5-17-9/h1-2,5,13H,3-4,6H2,(H3,12,14,15,16)
InChIKeyVWQOFAAWTSSCLJ-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.51
Rot. Bonds2

About 4-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine

4-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine (PubChem CID 115145015) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is 4-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
PubChem CID115145015
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name4-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
SMILESNc1nc2c(c(Nc3cccs3)n1)CNCC2
InChIInChI=1S/C11H13N5S/c12-11-14-8-3-4-13-6-7(8)10(16-11)15-9-2-1-5-17-9/h1-2,5,13H,3-4,6H2,(H3,12,14,15,16)
InChIKeyVWQOFAAWTSSCLJ-UHFFFAOYSA-N
XLogP1.51
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine (CID 115145015) is 4-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine is Nc1nc2c(c(Nc3cccs3)n1)CNCC2.
What is the InChIKey of 4-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The InChIKey is VWQOFAAWTSSCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c12-11-14-8-3-4-13-6-7(8)10(16-11)15-9-2-1-5-17-9/h1-2,5,13H,3-4,6H2,(H3,12,14,15,16).
What are the key properties of 4-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
4-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine has a molecular weight of 247.33 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 115145015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).