(4R)-2-(2-cyclopropylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol

C18H21N3O3 — CID 99077008

IUPAC(4R)-2-(2-cyclopropylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1ccc(OC)c2c1CN(c1ccnc(C3CC3)n1)C[C@@H]2O
InChIInChI=1S/C18H21N3O3/c1-23-14-5-6-15(24-2)17-12(14)9-21(10-13(17)22)16-7-8-19-18(20-16)11-3-4-11/h5-8,11,13,22H,3-4,9-10H2,1-2H3/t13-/m0/s1
InChIKeyHVICYTGQBGUWCZ-ZDUSSCGKSA-N
MW327.38 g/mol
LogP2.42
Rot. Bonds4

About (4R)-2-(2-cyclopropylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol

(4R)-2-(2-cyclopropylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 99077008) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (4R)-2-(2-cyclopropylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name(4R)-2-(2-cyclopropylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID99077008
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(4R)-2-(2-cyclopropylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1ccc(OC)c2c1CN(c1ccnc(C3CC3)n1)C[C@@H]2O
InChIInChI=1S/C18H21N3O3/c1-23-14-5-6-15(24-2)17-12(14)9-21(10-13(17)22)16-7-8-19-18(20-16)11-3-4-11/h5-8,11,13,22H,3-4,9-10H2,1-2H3/t13-/m0/s1
InChIKeyHVICYTGQBGUWCZ-ZDUSSCGKSA-N
XLogP2.42
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-2-(2-cyclopropylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-6-methylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 56807665
(4S)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 94103734
(4R)-2-[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 99773998
(4S)-2-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 97332146
5,8-dimethoxy-2-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 86884084
5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol
CID 24508481
(4S)-5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol
CID 51643283
4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 171704070
4-(azetidin-1-yl)-2-cyclopropylpyrimidine
CID 131087729
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 56798625
(4S)-5,8-dimethoxy-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 95573529
(4R)-5,8-dimethoxy-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 95573528

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-cyclopropylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of (4R)-2-(2-cyclopropylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol (CID 99077008) is (4R)-2-(2-cyclopropylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for (4R)-2-(2-cyclopropylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for (4R)-2-(2-cyclopropylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol is COc1ccc(OC)c2c1CN(c1ccnc(C3CC3)n1)C[C@@H]2O.
What is the InChIKey of (4R)-2-(2-cyclopropylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is HVICYTGQBGUWCZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-14-5-6-15(24-2)17-12(14)9-21(10-13(17)22)16-7-8-19-18(20-16)11-3-4-11/h5-8,11,13,22H,3-4,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (4R)-2-(2-cyclopropylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
(4R)-2-(2-cyclopropylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 327.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-cyclopropylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 99077008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).