1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol

C19H25N5O — CID 50975698

IUPAC1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccnc(NCCN3CCc4ccccc4C3)n2)C1
InChIInChI=1S/C19H25N5O/c25-17-7-11-24(14-17)18-5-8-20-19(22-18)21-9-12-23-10-6-15-3-1-2-4-16(15)13-23/h1-5,8,17,25H,6-7,9-14H2,(H,20,21,22)
InChIKeyONPOKNAQCRVYRA-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.52
Rot. Bonds5

About 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol

1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 50975698) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID50975698
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccnc(NCCN3CCc4ccccc4C3)n2)C1
InChIInChI=1S/C19H25N5O/c25-17-7-11-24(14-17)18-5-8-20-19(22-18)21-9-12-23-10-6-15-3-1-2-4-16(15)13-23/h1-5,8,17,25H,6-7,9-14H2,(H,20,21,22)
InChIKeyONPOKNAQCRVYRA-UHFFFAOYSA-N
XLogP1.52
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

1-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50954135
1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 134700926
1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 134710523
(3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95123079
1-[2-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50955735
N-[2-[[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide
CID 95123015
N-[2-[[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide
CID 50955413
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 112885872
1-[2-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-2-one
CID 131915588
1-[2-(2,1,3-benzothiadiazol-5-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 134698382
1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol
CID 134707232

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol (CID 50975698) is 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol is OC1CCN(c2ccnc(NCCN3CCc4ccccc4C3)n2)C1.
What is the InChIKey of 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is ONPOKNAQCRVYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c25-17-7-11-24(14-17)18-5-8-20-19(22-18)21-9-12-23-10-6-15-3-1-2-4-16(15)13-23/h1-5,8,17,25H,6-7,9-14H2,(H,20,21,22).
What are the key properties of 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 339.44 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 50975698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).