1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol

C19H23N5O — CID 134700926

IUPAC1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccnc(NCCCn3ccc4ccccc43)n2)C1
InChIInChI=1S/C19H23N5O/c25-16-8-13-24(14-16)18-6-10-21-19(22-18)20-9-3-11-23-12-7-15-4-1-2-5-17(15)23/h1-2,4-7,10,12,16,25H,3,8-9,11,13-14H2,(H,20,21,22)
InChIKeyHIKIXKYQFRWAEV-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.50
Rot. Bonds6

About 1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol

1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 134700926) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID134700926
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccnc(NCCCn3ccc4ccccc43)n2)C1
InChIInChI=1S/C19H23N5O/c25-16-8-13-24(14-16)18-6-10-21-19(22-18)20-9-3-11-23-12-7-15-4-1-2-5-17(15)23/h1-2,4-7,10,12,16,25H,3,8-9,11,13-14H2,(H,20,21,22)
InChIKeyHIKIXKYQFRWAEV-UHFFFAOYSA-N
XLogP2.50
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-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

1-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50954135
1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50975698
1-[2-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50955735
(3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95123079
1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 134710523
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
1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol
CID 135100300
1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50955286
(3S)-1-[2-[(2,3-difluoro-4-methylphenyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95122099
1-[2-(2,1,3-benzothiadiazol-5-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 134698382

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol (CID 134700926) is 1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol is OC1CCN(c2ccnc(NCCCn3ccc4ccccc43)n2)C1.
What is the InChIKey of 1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is HIKIXKYQFRWAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-16-8-13-24(14-16)18-6-10-21-19(22-18)20-9-3-11-23-12-7-15-4-1-2-5-17(15)23/h1-2,4-7,10,12,16,25H,3,8-9,11,13-14H2,(H,20,21,22).
What are the key properties of 1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 337.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 134700926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).