N-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen

C25H32N6O3 — CID 159374794

IUPACN-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen
SMILESCNC(=O)c1ccnc(CC2CCC(Oc3cc(N4CCOCC4)cc4ncncc34)CC2)n1.[H][H]
InChIInChI=1S/C25H30N6O3.H2/c1-26-25(32)21-6-7-28-24(30-21)12-17-2-4-19(5-3-17)34-23-14-18(31-8-10-33-11-9-31)13-22-20(23)15-27-16-29-22;/h6-7,13-17,19H,2-5,8-12H2,1H3,(H,26,32);1H
InChIKeyLKEFSOQXYKDWST-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.04
Rot. Bonds6

About N-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen

N-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen (PubChem CID 159374794) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen
PubChem CID159374794
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC NameN-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen
SMILESCNC(=O)c1ccnc(CC2CCC(Oc3cc(N4CCOCC4)cc4ncncc34)CC2)n1.[H][H]
InChIInChI=1S/C25H30N6O3.H2/c1-26-25(32)21-6-7-28-24(30-21)12-17-2-4-19(5-3-17)34-23-14-18(31-8-10-33-11-9-31)13-22-20(23)15-27-16-29-22;/h6-7,13-17,19H,2-5,8-12H2,1H3,(H,26,32);1H
InChIKeyLKEFSOQXYKDWST-UHFFFAOYSA-N
XLogP3.04
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen with MolForge

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Related Compounds

ethyl N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]carbamate
CID 139338434
4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine
CID 139330388
N-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide
CID 139342811
lithium;ethyl 4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexane-1-carboxylate;methanamine;N-methyl-4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexane-1-carboxamide;4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexane-1-carboxylic acid;oxolane;hydroxide
CID 159593215
molecular hydrogen;7-morpholin-4-ylquinazolin-5-ol;(4-pyrimidin-2-yloxycyclohexyl) methanesulfonate;4-[5-(4-pyrimidin-2-yloxycyclohexyl)oxyquinazolin-7-yl]morpholine
CID 162183203
methyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate
CID 157357366
N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide
CID 121335836
N,N-dimethyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-amine
CID 147864127
N,6-dimethyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;4-[8-[4-[(5,6-dimethylpyrazin-2-yl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;3-[8-[4-[[6-(methoxymethyl)-2-methylpyrimidin-4-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]-6-oxa-3-azabicyclo[3.1.1]heptane;N-methyl-6-[[4-[7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinoxalin-5-yl]oxycyclohexyl]methyl]pyrimidine-4-carboxamide
CID 161374105
N-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]acetamide
CID 121335573
8-[4-[(5-methoxypyrimidin-2-yl)methyl]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one
CID 159201915
4-[(2-chlorofuro[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;2-methyl-N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine
CID 139330580

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen?
The IUPAC name of N-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen (CID 159374794) is N-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen.
What is the SMILES notation for N-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen?
The canonical SMILES for N-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen is CNC(=O)c1ccnc(CC2CCC(Oc3cc(N4CCOCC4)cc4ncncc34)CC2)n1.[H][H].
What is the InChIKey of N-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen?
The InChIKey is LKEFSOQXYKDWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3.H2/c1-26-25(32)21-6-7-28-24(30-21)12-17-2-4-19(5-3-17)34-23-14-18(31-8-10-33-11-9-31)13-22-20(23)15-27-16-29-22;/h6-7,13-17,19H,2-5,8-12H2,1H3,(H,26,32);1H.
What are the key properties of N-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen?
N-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen has a molecular weight of 464.57 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen is sourced from PubChem (CID 159374794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).