2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile

C23H25N7O2 — CID 90443904

IUPAC2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C23H25N7O2/c24-13-16-14-27-23(28-15-16)29-17-1-3-19(4-2-17)32-21-12-18(30-7-9-31-10-8-30)11-20-22(21)26-6-5-25-20/h5-6,11-12,14-15,17,19H,1-4,7-10H2,(H,27,28,29)
InChIKeyGHRHAPPIWZWTRH-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.93
Rot. Bonds5

About 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile

2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile (PubChem CID 90443904) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile
PubChem CID90443904
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C23H25N7O2/c24-13-16-14-27-23(28-15-16)29-17-1-3-19(4-2-17)32-21-12-18(30-7-9-31-10-8-30)11-20-22(21)26-6-5-25-20/h5-6,11-12,14-15,17,19H,1-4,7-10H2,(H,27,28,29)
InChIKeyGHRHAPPIWZWTRH-UHFFFAOYSA-N
XLogP2.93
TPSA109.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile with MolForge

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Related Compounds

5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 90454078
6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile
CID 90454060
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide
CID 138546172
6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile
CID 86280904
5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 121335706
5-[[(2-methyloxolan-3-yl)amino]methyl]-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 170121746
5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine
CID 121335808
5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;7-morpholin-4-ylquinoxalin-5-ol
CID 159243023
3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335619
5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine
CID 121335923
N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine
CID 121335789
5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-2-amine
CID 90454133

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile (CID 90443904) is 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile is N#Cc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.
What is the InChIKey of 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile?
The InChIKey is GHRHAPPIWZWTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c24-13-16-14-27-23(28-15-16)29-17-1-3-19(4-2-17)32-21-12-18(30-7-9-31-10-8-30)11-20-22(21)26-6-5-25-20/h5-6,11-12,14-15,17,19H,1-4,7-10H2,(H,27,28,29).
What are the key properties of 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile?
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile has a molecular weight of 431.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 90443904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).