4-methoxy-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide

C22H27N7O4 — CID 170394582

IUPAC4-methoxy-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide
SMILESCOc1ccnc(C(=O)NC2CCC(Oc3nc(N4CCOCC4)cc4nccn34)CC2)n1
InChIInChI=1S/C22H27N7O4/c1-31-19-6-7-24-20(27-19)21(30)25-15-2-4-16(5-3-15)33-22-26-18(28-10-12-32-13-11-28)14-17-23-8-9-29(17)22/h6-9,14-16H,2-5,10-13H2,1H3,(H,25,30)
InChIKeyNDFOZMFUXUAHIN-UHFFFAOYSA-N
MW453.50 g/mol
LogP1.48
Rot. Bonds6

About 4-methoxy-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide

4-methoxy-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide (PubChem CID 170394582) has the molecular formula C22H27N7O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is 4-methoxy-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide
PubChem CID170394582
Molecular FormulaC22H27N7O4
Molecular Weight453.50 g/mol
Exact Mass453.21
IUPAC Name4-methoxy-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide
SMILESCOc1ccnc(C(=O)NC2CCC(Oc3nc(N4CCOCC4)cc4nccn34)CC2)n1
InChIInChI=1S/C22H27N7O4/c1-31-19-6-7-24-20(27-19)21(30)25-15-2-4-16(5-3-15)33-22-26-18(28-10-12-32-13-11-28)14-17-23-8-9-29(17)22/h6-9,14-16H,2-5,10-13H2,1H3,(H,25,30)
InChIKeyNDFOZMFUXUAHIN-UHFFFAOYSA-N
XLogP1.48
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N,N-dimethyl-2-((2-((4-((7-morpholinoimidazo[1,2-c]pyrimidin-5-yl)oxy)cyclohexyl)amino)pyrimidin-5-yl)oxy)acetamide
CID 170394478
N-(4-((7-morpholinoimidazo[1,2-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrimidine-2-carboxamide
CID 170394581
4-imidazol-1-yl-6-methoxy-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide
CID 166481053

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide (CID 170394582) is 4-methoxy-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide is COc1ccnc(C(=O)NC2CCC(Oc3nc(N4CCOCC4)cc4nccn34)CC2)n1.
What is the InChIKey of 4-methoxy-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide?
The InChIKey is NDFOZMFUXUAHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O4/c1-31-19-6-7-24-20(27-19)21(30)25-15-2-4-16(5-3-15)33-22-26-18(28-10-12-32-13-11-28)14-17-23-8-9-29(17)22/h6-9,14-16H,2-5,10-13H2,1H3,(H,25,30).
What are the key properties of 4-methoxy-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide?
4-methoxy-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 170394582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).