N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine

C29H39N7O2 — CID 121335854

IUPACN-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
SMILESCc1cnc2cc(N3CCOCC3)cc(OC3CCC(Nc4ncc(C5CCN(C)CC5)cn4)CC3)c2n1
InChIInChI=1S/C29H39N7O2/c1-20-17-30-26-15-24(36-11-13-37-14-12-36)16-27(28(26)33-20)38-25-5-3-23(4-6-25)34-29-31-18-22(19-32-29)21-7-9-35(2)10-8-21/h15-19,21,23,25H,3-14H2,1-2H3,(H,31,32,34)
InChIKeyBPVCNSMXKMMWMV-UHFFFAOYSA-N
MW517.68 g/mol
LogP4.18
Rot. Bonds6

About N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine

N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 121335854) has the molecular formula C29H39N7O2 and a molecular weight of 517.68 g/mol. Its IUPAC name is N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID121335854
Molecular FormulaC29H39N7O2
Molecular Weight517.68 g/mol
Exact Mass517.32
IUPAC NameN-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
SMILESCc1cnc2cc(N3CCOCC3)cc(OC3CCC(Nc4ncc(C5CCN(C)CC5)cn4)CC3)c2n1
InChIInChI=1S/C29H39N7O2/c1-20-17-30-26-15-24(36-11-13-37-14-12-36)16-27(28(26)33-20)38-25-5-3-23(4-6-25)34-29-31-18-22(19-32-29)21-7-9-35(2)10-8-21/h15-19,21,23,25H,3-14H2,1-2H3,(H,31,32,34)
InChIKeyBPVCNSMXKMMWMV-UHFFFAOYSA-N
XLogP4.18
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.68
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine with MolForge

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Related Compounds

5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 90454078
N-[4-(3-butyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 90443908
5-[[(2-methyloxolan-3-yl)amino]methyl]-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 170121746
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile
CID 90443904
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
1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one
CID 139342829
5,7-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 121335896
5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine
CID 121335923
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide
CID 138546172
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-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335611

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine (CID 121335854) is N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine is Cc1cnc2cc(N3CCOCC3)cc(OC3CCC(Nc4ncc(C5CCN(C)CC5)cn4)CC3)c2n1.
What is the InChIKey of N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is BPVCNSMXKMMWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N7O2/c1-20-17-30-26-15-24(36-11-13-37-14-12-36)16-27(28(26)33-20)38-25-5-3-23(4-6-25)34-29-31-18-22(19-32-29)21-7-9-35(2)10-8-21/h15-19,21,23,25H,3-14H2,1-2H3,(H,31,32,34).
What are the key properties of N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 517.68 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 121335854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).