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

C16H18N4O — CID 117102085

IUPAC4-(1,3-dihydroisoindol-2-yl)-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOc1nc2c(c(N3Cc4ccccc4C3)n1)CNCC2
InChIInChI=1S/C16H18N4O/c1-21-16-18-14-6-7-17-8-13(14)15(19-16)20-9-11-4-2-3-5-12(11)10-20/h2-5,17H,6-10H2,1H3
InChIKeyAFGVXGUOYHKOHK-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.65
Rot. Bonds2

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

4-(1,3-dihydroisoindol-2-yl)-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 117102085) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID117102085
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOc1nc2c(c(N3Cc4ccccc4C3)n1)CNCC2
InChIInChI=1S/C16H18N4O/c1-21-16-18-14-6-7-17-8-13(14)15(19-16)20-9-11-4-2-3-5-12(11)10-20/h2-5,17H,6-10H2,1H3
InChIKeyAFGVXGUOYHKOHK-UHFFFAOYSA-N
XLogP1.65
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 117102085) is 4-(1,3-dihydroisoindol-2-yl)-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is COc1nc2c(c(N3Cc4ccccc4C3)n1)CNCC2.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is AFGVXGUOYHKOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-21-16-18-14-6-7-17-8-13(14)15(19-16)20-9-11-4-2-3-5-12(11)10-20/h2-5,17H,6-10H2,1H3.
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(1,3-dihydroisoindol-2-yl)-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 282.35 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 117102085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).