5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine

C22H25FN6O2 — CID 121335808

IUPAC5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine
SMILESFc1cncnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1
InChIInChI=1S/C22H25FN6O2/c23-18-13-24-14-27-22(18)28-15-1-3-17(4-2-15)31-20-12-16(29-7-9-30-10-8-29)11-19-21(20)26-6-5-25-19/h5-6,11-15,17H,1-4,7-10H2,(H,24,27,28)
InChIKeyLPBDWJUUOHSGDA-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.20
Rot. Bonds5

About 5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine

5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine (PubChem CID 121335808) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine
PubChem CID121335808
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine
SMILESFc1cncnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1
InChIInChI=1S/C22H25FN6O2/c23-18-13-24-14-27-22(18)28-15-1-3-17(4-2-15)31-20-12-16(29-7-9-30-10-8-29)11-19-21(20)26-6-5-25-19/h5-6,11-15,17H,1-4,7-10H2,(H,24,27,28)
InChIKeyLPBDWJUUOHSGDA-UHFFFAOYSA-N
XLogP3.20
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-fluoro-6-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine
CID 121335874
5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 121335706
3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335619
3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335611
3-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-4-carboxamide
CID 86281846
5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine
CID 121335923
3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335616
N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine
CID 121335789
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile
CID 90443904
N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine
CID 121335931
5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 90454078
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 5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine (CID 121335808) is 5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine is Fc1cncnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.
What is the InChIKey of 5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine?
The InChIKey is LPBDWJUUOHSGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c23-18-13-24-14-27-22(18)28-15-1-3-17(4-2-15)31-20-12-16(29-7-9-30-10-8-29)11-19-21(20)26-6-5-25-19/h5-6,11-15,17H,1-4,7-10H2,(H,24,27,28).
What are the key properties of 5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine?
5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine has a molecular weight of 424.48 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine is sourced from PubChem (CID 121335808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).