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

C21H25N7O3 — CID 170394581

IUPACN-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide
SMILESO=C(NC1CCC(Oc2nc(N3CCOCC3)cc3nccn23)CC1)c1ncccn1
InChIInChI=1S/C21H25N7O3/c29-20(19-23-6-1-7-24-19)25-15-2-4-16(5-3-15)31-21-26-18(27-10-12-30-13-11-27)14-17-22-8-9-28(17)21/h1,6-9,14-16H,2-5,10-13H2,(H,25,29)
InChIKeyRPOJTOIKWBWHFV-UHFFFAOYSA-N
MW423.48 g/mol
LogP1.48
Rot. Bonds5

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

N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide (PubChem CID 170394581) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide
PubChem CID170394581
Molecular FormulaC21H25N7O3
Molecular Weight423.48 g/mol
Exact Mass423.20
IUPAC NameN-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide
SMILESO=C(NC1CCC(Oc2nc(N3CCOCC3)cc3nccn23)CC1)c1ncccn1
InChIInChI=1S/C21H25N7O3/c29-20(19-23-6-1-7-24-19)25-15-2-4-16(5-3-15)31-21-26-18(27-10-12-30-13-11-27)14-17-22-8-9-28(17)21/h1,6-9,14-16H,2-5,10-13H2,(H,25,29)
InChIKeyRPOJTOIKWBWHFV-UHFFFAOYSA-N
XLogP1.48
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide (CID 170394581) is N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide is O=C(NC1CCC(Oc2nc(N3CCOCC3)cc3nccn23)CC1)c1ncccn1.
What is the InChIKey of N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide?
The InChIKey is RPOJTOIKWBWHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3/c29-20(19-23-6-1-7-24-19)25-15-2-4-16(5-3-15)31-21-26-18(27-10-12-30-13-11-27)14-17-22-8-9-28(17)21/h1,6-9,14-16H,2-5,10-13H2,(H,25,29).
What are the key properties of N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide?
N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 170394581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).