4-[[4-(4-methoxy-7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]-2-methyl-6,7-dihydrofuro[3,2-d]pyrimidine;molecular hydrogen

C27H35N5O4 — CID 159998445

IUPAC4-[[4-(4-methoxy-7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]-2-methyl-6,7-dihydrofuro[3,2-d]pyrimidine;molecular hydrogen
SMILESCOc1ncnc2cc(N3CCOCC3)cc(OC3CCC(Cc4nc(C)nc5c4OCC5)CC3)c12.[H][H]
InChIInChI=1S/C27H33N5O4.H2/c1-17-30-21-7-10-35-26(21)23(31-17)13-18-3-5-20(6-4-18)36-24-15-19(32-8-11-34-12-9-32)14-22-25(24)27(33-2)29-16-28-22;/h14-16,18,20H,3-13H2,1-2H3;1H
InChIKeyOHVUVAZCLHZNGY-UHFFFAOYSA-N
MW493.61 g/mol
LogP3.93
Rot. Bonds6

About 4-[[4-(4-methoxy-7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]-2-methyl-6,7-dihydrofuro[3,2-d]pyrimidine;molecular hydrogen

4-[[4-(4-methoxy-7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]-2-methyl-6,7-dihydrofuro[3,2-d]pyrimidine;molecular hydrogen (PubChem CID 159998445) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is 4-[[4-(4-methoxy-7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]-2-methyl-6,7-dihydrofuro[3,2-d]pyrimidine;molecular hydrogen.

Molecular Properties

Compound Name4-[[4-(4-methoxy-7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]-2-methyl-6,7-dihydrofuro[3,2-d]pyrimidine;molecular hydrogen
PubChem CID159998445
Molecular FormulaC27H35N5O4
Molecular Weight493.61 g/mol
Exact Mass493.27
IUPAC Name4-[[4-(4-methoxy-7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]-2-methyl-6,7-dihydrofuro[3,2-d]pyrimidine;molecular hydrogen
SMILESCOc1ncnc2cc(N3CCOCC3)cc(OC3CCC(Cc4nc(C)nc5c4OCC5)CC3)c12.[H][H]
InChIInChI=1S/C27H33N5O4.H2/c1-17-30-21-7-10-35-26(21)23(31-17)13-18-3-5-20(6-4-18)36-24-15-19(32-8-11-34-12-9-32)14-22-25(24)27(33-2)29-16-28-22;/h14-16,18,20H,3-13H2,1-2H3;1H
InChIKeyOHVUVAZCLHZNGY-UHFFFAOYSA-N
XLogP3.93
TPSA91.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[[4-(4-methoxy-7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]-2-methyl-6,7-dihydrofuro[3,2-d]pyrimidine;molecular hydrogen with MolForge

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Related Compounds

4-[8-[4-[(2,5-dimethylpyrimidin-4-yl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 158204207
[4-[(2-methoxyacetyl)amino]cyclohexyl] methanesulfonate;2-methoxy-N-[4-(4-methoxy-7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]acetamide;4-methoxy-7-(oxan-4-yl)quinazolin-5-ol;molecular hydrogen
CID 158226671
4-[8-[4-[(2-methoxy-3-pyridinyl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 159654436
4-[8-[4-[(2-methylpyrimidin-5-yl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 158858413
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
N-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen
CID 159374794
methyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate
CID 157357366
N,N-dimethyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-amine
CID 147864127
(2R)-2-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-yl]amino]propan-1-ol
CID 148602741
8-[4-[(5-methoxypyrimidin-2-yl)methyl]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one
CID 159201915
4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine
CID 139330388
4-[8-[4-[(2-chloropyrimidin-4-yl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 157161500

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxy-7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]-2-methyl-6,7-dihydrofuro[3,2-d]pyrimidine;molecular hydrogen?
The IUPAC name of 4-[[4-(4-methoxy-7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]-2-methyl-6,7-dihydrofuro[3,2-d]pyrimidine;molecular hydrogen (CID 159998445) is 4-[[4-(4-methoxy-7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]-2-methyl-6,7-dihydrofuro[3,2-d]pyrimidine;molecular hydrogen.
What is the SMILES notation for 4-[[4-(4-methoxy-7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]-2-methyl-6,7-dihydrofuro[3,2-d]pyrimidine;molecular hydrogen?
The canonical SMILES for 4-[[4-(4-methoxy-7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]-2-methyl-6,7-dihydrofuro[3,2-d]pyrimidine;molecular hydrogen is COc1ncnc2cc(N3CCOCC3)cc(OC3CCC(Cc4nc(C)nc5c4OCC5)CC3)c12.[H][H].
What is the InChIKey of 4-[[4-(4-methoxy-7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]-2-methyl-6,7-dihydrofuro[3,2-d]pyrimidine;molecular hydrogen?
The InChIKey is OHVUVAZCLHZNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4.H2/c1-17-30-21-7-10-35-26(21)23(31-17)13-18-3-5-20(6-4-18)36-24-15-19(32-8-11-34-12-9-32)14-22-25(24)27(33-2)29-16-28-22;/h14-16,18,20H,3-13H2,1-2H3;1H.
What are the key properties of 4-[[4-(4-methoxy-7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]-2-methyl-6,7-dihydrofuro[3,2-d]pyrimidine;molecular hydrogen?
4-[[4-(4-methoxy-7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]-2-methyl-6,7-dihydrofuro[3,2-d]pyrimidine;molecular hydrogen has a molecular weight of 493.61 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxy-7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]-2-methyl-6,7-dihydrofuro[3,2-d]pyrimidine;molecular hydrogen is sourced from PubChem (CID 159998445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).