4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

C16H19N5 — CID 117101984

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESNc1nc2c(c(N3CCc4ccccc4C3)n1)CCNC2
InChIInChI=1S/C16H19N5/c17-16-19-14-9-18-7-5-13(14)15(20-16)21-8-6-11-3-1-2-4-12(11)10-21/h1-4,18H,5-10H2,(H2,17,19,20)
InChIKeyZLQFBPJXJBTKIS-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.27
Rot. Bonds1

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 117101984) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID117101984
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESNc1nc2c(c(N3CCc4ccccc4C3)n1)CCNC2
InChIInChI=1S/C16H19N5/c17-16-19-14-9-18-7-5-13(14)15(20-16)21-8-6-11-3-1-2-4-12(11)10-21/h1-4,18H,5-10H2,(H2,17,19,20)
InChIKeyZLQFBPJXJBTKIS-UHFFFAOYSA-N
XLogP1.27
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine with MolForge

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Related Compounds

4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 56873372
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine
CID 80749587
4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidine-2-thione
CID 117101640
2-chloro-4-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 117101759
2-(1,3-dihydroisoindol-2-yl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 117100971
4-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2-thione
CID 117101941
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine
CID 16783390
4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
CID 1484265
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine
CID 80767136
4-(1,3-dihydroisoindol-2-yl)-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117102085
(3S)-1-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 95207884
4-(chloromethyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-amine
CID 28688828

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 117101984) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is Nc1nc2c(c(N3CCc4ccccc4C3)n1)CCNC2.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is ZLQFBPJXJBTKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c17-16-19-14-9-18-7-5-13(14)15(20-16)21-8-6-11-3-1-2-4-12(11)10-21/h1-4,18H,5-10H2,(H2,17,19,20).
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 281.36 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 117101984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).