4-cyclohexyl-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

C24H34N4O3 — CID 71608886

IUPAC4-cyclohexyl-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESO=C(N[C@@H]1[C@@H]2CC3C[C@@](O)(C2)C[C@H]31)c1cnc(N2CCOCC2)nc1C1CCCCC1
InChIInChI=1S/C24H34N4O3/c29-22(26-21-17-10-16-11-24(30,12-17)13-18(16)21)19-14-25-23(28-6-8-31-9-7-28)27-20(19)15-4-2-1-3-5-15/h14-18,21,30H,1-13H2,(H,26,29)/t16?,17-,18-,21-,24-/m1/s1
InChIKeyXYLACLJPEVMUBK-RZPDRJBRSA-N
MW426.56 g/mol
LogP2.64
Rot. Bonds4

About 4-cyclohexyl-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

4-cyclohexyl-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 71608886) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 4-cyclohexyl-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID71608886
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name4-cyclohexyl-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESO=C(N[C@@H]1[C@@H]2CC3C[C@@](O)(C2)C[C@H]31)c1cnc(N2CCOCC2)nc1C1CCCCC1
InChIInChI=1S/C24H34N4O3/c29-22(26-21-17-10-16-11-24(30,12-17)13-18(16)21)19-14-25-23(28-6-8-31-9-7-28)27-20(19)15-4-2-1-3-5-15/h14-18,21,30H,1-13H2,(H,26,29)/t16?,17-,18-,21-,24-/m1/s1
InChIKeyXYLACLJPEVMUBK-RZPDRJBRSA-N
XLogP2.64
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-cyclohexyl-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-2-morpholin-4-ylpyrimidine-5-carboxamide with MolForge

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Related Compounds

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CID 66876445
4-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)amino]-N-(5-hydroxy-2-adamantyl)pyrimidine-5-carboxamide
CID 52911881
4-cyclopentyl-N-(5-hydroxy-2-adamantyl)-2-[[(3R)-6-oxopiperidin-3-yl]amino]pyrimidine-5-carboxamide
CID 67087090
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505785
2,6-dichloro-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]pyridine-3-carboxamide
CID 71608944
4-[[4-cyclopentyl-2-(oxolan-3-ylamino)pyrimidine-5-carbonyl]amino]adamantane-1-carboxylic acid
CID 75951143
4-cycloheptylsulfanyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 68925255
4-cyclopentyl-N-[(1R,4S)-4-hydroxycyclooctyl]-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide;methane
CID 173027031
N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclohexanecarboxamide
CID 45221847
6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide
CID 59830624
cyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110219759
azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959621

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-cyclohexyl-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 71608886) is 4-cyclohexyl-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-cyclohexyl-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-cyclohexyl-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is O=C(N[C@@H]1[C@@H]2CC3C[C@@](O)(C2)C[C@H]31)c1cnc(N2CCOCC2)nc1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is XYLACLJPEVMUBK-RZPDRJBRSA-N. The full InChI is InChI=1S/C24H34N4O3/c29-22(26-21-17-10-16-11-24(30,12-17)13-18(16)21)19-14-25-23(28-6-8-31-9-7-28)27-20(19)15-4-2-1-3-5-15/h14-18,21,30H,1-13H2,(H,26,29)/t16?,17-,18-,21-,24-/m1/s1.
What are the key properties of 4-cyclohexyl-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
4-cyclohexyl-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[(1R,2R,3R,5R)-5-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 71608886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).