2-methoxy-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C12H18N4O — CID 117101784

IUPAC2-methoxy-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCOc1nc2c(c(N3CCCC3)n1)CCNC2
InChIInChI=1S/C12H18N4O/c1-17-12-14-10-8-13-5-4-9(10)11(15-12)16-6-2-3-7-16/h13H,2-8H2,1H3
InChIKeyYSAGSABZMFYDBQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.73
Rot. Bonds2

About 2-methoxy-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

2-methoxy-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 117101784) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methoxy-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-methoxy-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID117101784
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-methoxy-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCOc1nc2c(c(N3CCCC3)n1)CCNC2
InChIInChI=1S/C12H18N4O/c1-17-12-14-10-8-13-5-4-9(10)11(15-12)16-6-2-3-7-16/h13H,2-8H2,1H3
InChIKeyYSAGSABZMFYDBQ-UHFFFAOYSA-N
XLogP0.73
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-methoxy-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 117101784) is 2-methoxy-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-methoxy-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-methoxy-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is COc1nc2c(c(N3CCCC3)n1)CCNC2.
What is the InChIKey of 2-methoxy-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is YSAGSABZMFYDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-17-12-14-10-8-13-5-4-9(10)11(15-12)16-6-2-3-7-16/h13H,2-8H2,1H3.
What are the key properties of 2-methoxy-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-methoxy-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 234.30 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 117101784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).