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

C16H18N4O — CID 117100971

IUPAC2-(1,3-dihydroisoindol-2-yl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCOc1nc(N2Cc3ccccc3C2)nc2c1CCNC2
InChIInChI=1S/C16H18N4O/c1-21-15-13-6-7-17-8-14(13)18-16(19-15)20-9-11-4-2-3-5-12(11)10-20/h2-5,17H,6-10H2,1H3
InChIKeyVTSVEQZRMXFOKE-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.65
Rot. Bonds2

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

2-(1,3-dihydroisoindol-2-yl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 117100971) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID117100971
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCOc1nc(N2Cc3ccccc3C2)nc2c1CCNC2
InChIInChI=1S/C16H18N4O/c1-21-15-13-6-7-17-8-14(13)18-16(19-15)20-9-11-4-2-3-5-12(11)10-20/h2-5,17H,6-10H2,1H3
InChIKeyVTSVEQZRMXFOKE-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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Related Compounds

4-chloro-2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117101154
4-(1,3-dihydroisoindol-2-yl)-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117102085
2-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxy-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 117101372
2-(5-bromo-4-methoxypyrimidin-2-yl)-1,3-dihydroisoindole
CID 113253600
N-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 117100915
2-ethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 105447306
4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 117101984
N-(1H-isoindol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 147787453
N,N-diethyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 105498037
4-(3-methylphenoxy)-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 42870483
N-(2-fluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101099
4-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2-thione
CID 117101941

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 117100971) is 2-(1,3-dihydroisoindol-2-yl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is COc1nc(N2Cc3ccccc3C2)nc2c1CCNC2.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is VTSVEQZRMXFOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-21-15-13-6-7-17-8-14(13)18-16(19-15)20-9-11-4-2-3-5-12(11)10-20/h2-5,17H,6-10H2,1H3.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-(1,3-dihydroisoindol-2-yl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-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 2-(1,3-dihydroisoindol-2-yl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 117100971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).