5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrimidine-2,4-diamine

C16H21N5O2 — CID 10860015

IUPAC5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc2c(cc1OC)CN(Cc1cnc(N)nc1N)CC2
InChIInChI=1S/C16H21N5O2/c1-22-13-5-10-3-4-21(8-11(10)6-14(13)23-2)9-12-7-19-16(18)20-15(12)17/h5-7H,3-4,8-9H2,1-2H3,(H4,17,18,19,20)
InChIKeyGLXXCDORQLSBNC-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.22
Rot. Bonds4

About 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrimidine-2,4-diamine

5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 10860015) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID10860015
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc2c(cc1OC)CN(Cc1cnc(N)nc1N)CC2
InChIInChI=1S/C16H21N5O2/c1-22-13-5-10-3-4-21(8-11(10)6-14(13)23-2)9-12-7-19-16(18)20-15(12)17/h5-7H,3-4,8-9H2,1-2H3,(H4,17,18,19,20)
InChIKeyGLXXCDORQLSBNC-UHFFFAOYSA-N
XLogP1.22
TPSA99.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrimidine-2,4-diamine (CID 10860015) is 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrimidine-2,4-diamine is COc1cc2c(cc1OC)CN(Cc1cnc(N)nc1N)CC2.
What is the InChIKey of 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is GLXXCDORQLSBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-22-13-5-10-3-4-21(8-11(10)6-14(13)23-2)9-12-7-19-16(18)20-15(12)17/h5-7H,3-4,8-9H2,1-2H3,(H4,17,18,19,20).
What are the key properties of 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrimidine-2,4-diamine?
5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 315.38 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 10860015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).