2-propan-2-yl-4-pyrrolidin-1-yl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C19H26N4S — CID 46961564

IUPAC2-propan-2-yl-4-pyrrolidin-1-yl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC(C)c1nc2c(c(N3CCCC3)n1)CCN(Cc1cccs1)C2
InChIInChI=1S/C19H26N4S/c1-14(2)18-20-17-13-22(12-15-6-5-11-24-15)10-7-16(17)19(21-18)23-8-3-4-9-23/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3
InChIKeyHVGNOFRWEUISQA-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.82
Rot. Bonds4

About 2-propan-2-yl-4-pyrrolidin-1-yl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-propan-2-yl-4-pyrrolidin-1-yl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 46961564) has the molecular formula C19H26N4S and a molecular weight of 342.51 g/mol. Its IUPAC name is 2-propan-2-yl-4-pyrrolidin-1-yl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-propan-2-yl-4-pyrrolidin-1-yl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID46961564
Molecular FormulaC19H26N4S
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Name2-propan-2-yl-4-pyrrolidin-1-yl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC(C)c1nc2c(c(N3CCCC3)n1)CCN(Cc1cccs1)C2
InChIInChI=1S/C19H26N4S/c1-14(2)18-20-17-13-22(12-15-6-5-11-24-15)10-7-16(17)19(21-18)23-8-3-4-9-23/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3
InChIKeyHVGNOFRWEUISQA-UHFFFAOYSA-N
XLogP3.82
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-pyrrolidin-1-yl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-propan-2-yl-4-pyrrolidin-1-yl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 46961564) is 2-propan-2-yl-4-pyrrolidin-1-yl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-propan-2-yl-4-pyrrolidin-1-yl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-propan-2-yl-4-pyrrolidin-1-yl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CC(C)c1nc2c(c(N3CCCC3)n1)CCN(Cc1cccs1)C2.
What is the InChIKey of 2-propan-2-yl-4-pyrrolidin-1-yl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is HVGNOFRWEUISQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4S/c1-14(2)18-20-17-13-22(12-15-6-5-11-24-15)10-7-16(17)19(21-18)23-8-3-4-9-23/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3.
What are the key properties of 2-propan-2-yl-4-pyrrolidin-1-yl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-propan-2-yl-4-pyrrolidin-1-yl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 342.51 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-pyrrolidin-1-yl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 46961564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).