2-(methylamino)-4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one

C23H29N7O3 — CID 137058933

IUPAC2-(methylamino)-4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one
SMILESCNc1nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cc(=O)[nH]1
InChIInChI=1S/C23H29N7O3/c1-24-23-28-20(14-21(31)29-23)27-15-2-4-17(5-3-15)33-19-13-16(30-8-10-32-11-9-30)12-18-22(19)26-7-6-25-18/h6-7,12-15,17H,2-5,8-11H2,1H3,(H3,24,27,28,29,31)
InChIKeyKRSCULAKBPIZBX-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.39
Rot. Bonds6

About 2-(methylamino)-4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one

2-(methylamino)-4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one (PubChem CID 137058933) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 2-(methylamino)-4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(methylamino)-4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one
PubChem CID137058933
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC Name2-(methylamino)-4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one
SMILESCNc1nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cc(=O)[nH]1
InChIInChI=1S/C23H29N7O3/c1-24-23-28-20(14-21(31)29-23)27-15-2-4-17(5-3-15)33-19-13-16(30-8-10-32-11-9-30)12-18-22(19)26-7-6-25-18/h6-7,12-15,17H,2-5,8-11H2,1H3,(H3,24,27,28,29,31)
InChIKeyKRSCULAKBPIZBX-UHFFFAOYSA-N
XLogP2.39
TPSA117.29 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-(methylamino)-4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-N,2-N-dimethyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 121335685
N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide
CID 121335836
5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-2-amine
CID 90454133
2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol
CID 121335604
4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335607
2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-4-amine
CID 121335918
3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335611
6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile
CID 90454060
methyl 4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexane-1-carboxylate
CID 86282798
5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 121335706
3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335616
6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile
CID 86280904

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-(methylamino)-4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one (CID 137058933) is 2-(methylamino)-4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(methylamino)-4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(methylamino)-4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one is CNc1nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-(methylamino)-4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one?
The InChIKey is KRSCULAKBPIZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-24-23-28-20(14-21(31)29-23)27-15-2-4-17(5-3-15)33-19-13-16(30-8-10-32-11-9-30)12-18-22(19)26-7-6-25-18/h6-7,12-15,17H,2-5,8-11H2,1H3,(H3,24,27,28,29,31).
What are the key properties of 2-(methylamino)-4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one?
2-(methylamino)-4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one has a molecular weight of 451.53 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137058933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).