(1R)-1-[3-[2-[(5-methanimidoylpyrimidin-4-yl)amino]ethyl]cyclobutyl]-3-phenylpropan-1-ol

C20H26N4O — CID 143007958

IUPAC(1R)-1-[3-[2-[(5-methanimidoylpyrimidin-4-yl)amino]ethyl]cyclobutyl]-3-phenylpropan-1-ol
SMILES[H]/N=C/c1cncnc1NCCC1CC([C@H](O)CCc2ccccc2)C1
InChIInChI=1S/C20H26N4O/c21-12-18-13-22-14-24-20(18)23-9-8-16-10-17(11-16)19(25)7-6-15-4-2-1-3-5-15/h1-5,12-14,16-17,19,21,25H,6-11H2,(H,22,23,24)/b21-12+/t16?,17?,19-/m1/s1
InChIKeyBTWIGHNSGMSCHG-OXVQGQNUSA-N
MW338.45 g/mol
LogP3.30
Rot. Bonds9

About (1R)-1-[3-[2-[(5-methanimidoylpyrimidin-4-yl)amino]ethyl]cyclobutyl]-3-phenylpropan-1-ol

(1R)-1-[3-[2-[(5-methanimidoylpyrimidin-4-yl)amino]ethyl]cyclobutyl]-3-phenylpropan-1-ol (PubChem CID 143007958) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (1R)-1-[3-[2-[(5-methanimidoylpyrimidin-4-yl)amino]ethyl]cyclobutyl]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-[3-[2-[(5-methanimidoylpyrimidin-4-yl)amino]ethyl]cyclobutyl]-3-phenylpropan-1-ol
PubChem CID143007958
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(1R)-1-[3-[2-[(5-methanimidoylpyrimidin-4-yl)amino]ethyl]cyclobutyl]-3-phenylpropan-1-ol
SMILES[H]/N=C/c1cncnc1NCCC1CC([C@H](O)CCc2ccccc2)C1
InChIInChI=1S/C20H26N4O/c21-12-18-13-22-14-24-20(18)23-9-8-16-10-17(11-16)19(25)7-6-15-4-2-1-3-5-15/h1-5,12-14,16-17,19,21,25H,6-11H2,(H,22,23,24)/b21-12+/t16?,17?,19-/m1/s1
InChIKeyBTWIGHNSGMSCHG-OXVQGQNUSA-N
XLogP3.30
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (1R)-1-[3-[2-[(5-methanimidoylpyrimidin-4-yl)amino]ethyl]cyclobutyl]-3-phenylpropan-1-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

(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
(2R)-1-imino-4-phenylbutan-2-ol
CID 11333114
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
(1R)-1-[(1R,2R)-2-ethenylcyclopropyl]-3-phenylpropan-1-ol
CID 12724899
CID 87893030
CID 87893030
1-[3-[[5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-3-phenylpropan-2-ol
CID 143312037
1-(2-chloropyrimidin-5-yl)-3-phenylpropan-1-ol
CID 172550907
1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol
CID 65401121
4-phenyl-1-pyrimidin-4-ylbutan-1-ol
CID 63988109
[4-(benzylamino)pyrimidin-5-yl]methanol
CID 28905189
(2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone
CID 70766957
1-phenyl-2-[4-(2-phenylethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
CID 11371816

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[2-[(5-methanimidoylpyrimidin-4-yl)amino]ethyl]cyclobutyl]-3-phenylpropan-1-ol?
The IUPAC name of (1R)-1-[3-[2-[(5-methanimidoylpyrimidin-4-yl)amino]ethyl]cyclobutyl]-3-phenylpropan-1-ol (CID 143007958) is (1R)-1-[3-[2-[(5-methanimidoylpyrimidin-4-yl)amino]ethyl]cyclobutyl]-3-phenylpropan-1-ol.
What is the SMILES notation for (1R)-1-[3-[2-[(5-methanimidoylpyrimidin-4-yl)amino]ethyl]cyclobutyl]-3-phenylpropan-1-ol?
The canonical SMILES for (1R)-1-[3-[2-[(5-methanimidoylpyrimidin-4-yl)amino]ethyl]cyclobutyl]-3-phenylpropan-1-ol is [H]/N=C/c1cncnc1NCCC1CC([C@H](O)CCc2ccccc2)C1.
What is the InChIKey of (1R)-1-[3-[2-[(5-methanimidoylpyrimidin-4-yl)amino]ethyl]cyclobutyl]-3-phenylpropan-1-ol?
The InChIKey is BTWIGHNSGMSCHG-OXVQGQNUSA-N. The full InChI is InChI=1S/C20H26N4O/c21-12-18-13-22-14-24-20(18)23-9-8-16-10-17(11-16)19(25)7-6-15-4-2-1-3-5-15/h1-5,12-14,16-17,19,21,25H,6-11H2,(H,22,23,24)/b21-12+/t16?,17?,19-/m1/s1.
What are the key properties of (1R)-1-[3-[2-[(5-methanimidoylpyrimidin-4-yl)amino]ethyl]cyclobutyl]-3-phenylpropan-1-ol?
(1R)-1-[3-[2-[(5-methanimidoylpyrimidin-4-yl)amino]ethyl]cyclobutyl]-3-phenylpropan-1-ol has a molecular weight of 338.45 g/mol, XLogP of 3.30, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[2-[(5-methanimidoylpyrimidin-4-yl)amino]ethyl]cyclobutyl]-3-phenylpropan-1-ol is sourced from PubChem (CID 143007958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).