(2R)-2-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-yl]amino]propan-1-ol

C26H33FN6O3 — CID 148602741

IUPAC(2R)-2-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-yl]amino]propan-1-ol
SMILESC[C@H](CO)Nc1ncnc(CC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1F
InChIInChI=1S/C26H33FN6O3/c1-17(15-34)32-26-24(27)21(30-16-31-26)12-18-2-4-20(5-3-18)36-23-14-19(33-8-10-35-11-9-33)13-22-25(23)29-7-6-28-22/h6-7,13-14,16-18,20,34H,2-5,8-12,15H2,1H3,(H,30,31,32)/t17-,18?,20?/m1/s1
InChIKeyNCVAWENFVKVNCX-PGYGNJIDSA-N
MW496.59 g/mol
LogP3.37
Rot. Bonds8

About (2R)-2-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-yl]amino]propan-1-ol

(2R)-2-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 148602741) has the molecular formula C26H33FN6O3 and a molecular weight of 496.59 g/mol. Its IUPAC name is (2R)-2-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-yl]amino]propan-1-ol
PubChem CID148602741
Molecular FormulaC26H33FN6O3
Molecular Weight496.59 g/mol
Exact Mass496.26
IUPAC Name(2R)-2-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-yl]amino]propan-1-ol
SMILESC[C@H](CO)Nc1ncnc(CC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1F
InChIInChI=1S/C26H33FN6O3/c1-17(15-34)32-26-24(27)21(30-16-31-26)12-18-2-4-20(5-3-18)36-23-14-19(33-8-10-35-11-9-33)13-22-25(23)29-7-6-28-22/h6-7,13-14,16-18,20,34H,2-5,8-12,15H2,1H3,(H,30,31,32)/t17-,18?,20?/m1/s1
InChIKeyNCVAWENFVKVNCX-PGYGNJIDSA-N
XLogP3.37
TPSA105.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2R)-2-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-yl]amino]propan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-[8-[4-[(2,5-dimethylpyrimidin-4-yl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 158204207
N-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]acetamide
CID 121335573
4-[8-[4-[(2-methylpyrimidin-5-yl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 158858413
5-fluoro-6-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine
CID 121335874
2-[5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-2-yl]propan-2-ol
CID 161213116
4-[8-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 157339164
5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine
CID 121335808
4-[8-[4-[(2-chloropyrimidin-4-yl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 157161500
4-[8-[4-[(2-methoxy-3-pyridinyl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 159654436
methyl 4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexane-1-carboxylate
CID 86282798
N,N-dimethyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-amine
CID 147864127
methyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate
CID 157357366

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-yl]amino]propan-1-ol (CID 148602741) is (2R)-2-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-yl]amino]propan-1-ol is C[C@H](CO)Nc1ncnc(CC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1F.
What is the InChIKey of (2R)-2-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is NCVAWENFVKVNCX-PGYGNJIDSA-N. The full InChI is InChI=1S/C26H33FN6O3/c1-17(15-34)32-26-24(27)21(30-16-31-26)12-18-2-4-20(5-3-18)36-23-14-19(33-8-10-35-11-9-33)13-22-25(23)29-7-6-28-22/h6-7,13-14,16-18,20,34H,2-5,8-12,15H2,1H3,(H,30,31,32)/t17-,18?,20?/m1/s1.
What are the key properties of (2R)-2-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-yl]amino]propan-1-ol?
(2R)-2-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 496.59 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 148602741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).