(2R)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-2-phenylethanol

C20H20N6O — CID 68900090

IUPAC(2R)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-2-phenylethanol
SMILESCc1cc(Nc2nc(N[C@@H](CO)c3ccccc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C20H20N6O/c1-13-11-18(26-25-13)23-19-15-9-5-6-10-16(15)21-20(24-19)22-17(12-27)14-7-3-2-4-8-14/h2-11,17,27H,12H2,1H3,(H3,21,22,23,24,25,26)/t17-/m0/s1
InChIKeyOFQJQUOMTABBFQ-KRWDZBQOSA-N
MW360.42 g/mol
LogP3.55
Rot. Bonds6

About (2R)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-2-phenylethanol

(2R)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-2-phenylethanol (PubChem CID 68900090) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is (2R)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-2-phenylethanol
PubChem CID68900090
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name(2R)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-2-phenylethanol
SMILESCc1cc(Nc2nc(N[C@@H](CO)c3ccccc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C20H20N6O/c1-13-11-18(26-25-13)23-19-15-9-5-6-10-16(15)21-20(24-19)22-17(12-27)14-7-3-2-4-8-14/h2-11,17,27H,12H2,1H3,(H3,21,22,23,24,25,26)/t17-/m0/s1
InChIKeyOFQJQUOMTABBFQ-KRWDZBQOSA-N
XLogP3.55
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-2-phenylethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-2-phenylethanol (CID 68900090) is (2R)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-2-phenylethanol is Cc1cc(Nc2nc(N[C@@H](CO)c3ccccc3)nc3ccccc23)n[nH]1.
What is the InChIKey of (2R)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-2-phenylethanol?
The InChIKey is OFQJQUOMTABBFQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13-11-18(26-25-13)23-19-15-9-5-6-10-16(15)21-20(24-19)22-17(12-27)14-7-3-2-4-8-14/h2-11,17,27H,12H2,1H3,(H3,21,22,23,24,25,26)/t17-/m0/s1.
What are the key properties of (2R)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-2-phenylethanol?
(2R)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-2-phenylethanol has a molecular weight of 360.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-2-phenylethanol is sourced from PubChem (CID 68900090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).