4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]bicyclo[2.2.1]heptan-1-ol

C15H21ClN4O2 — CID 169246390

IUPAC4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]bicyclo[2.2.1]heptan-1-ol
SMILESOC12CCC(Nc3nc(Cl)cc(N4CCOCC4)n3)(CC1)C2
InChIInChI=1S/C15H21ClN4O2/c16-11-9-12(20-5-7-22-8-6-20)18-13(17-11)19-14-1-3-15(21,10-14)4-2-14/h9,21H,1-8,10H2,(H,17,18,19)
InChIKeySAXKGMMBPRBDBI-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.83
Rot. Bonds3

About 4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]bicyclo[2.2.1]heptan-1-ol

4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]bicyclo[2.2.1]heptan-1-ol (PubChem CID 169246390) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]bicyclo[2.2.1]heptan-1-ol.

Molecular Properties

Compound Name4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]bicyclo[2.2.1]heptan-1-ol
PubChem CID169246390
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]bicyclo[2.2.1]heptan-1-ol
SMILESOC12CCC(Nc3nc(Cl)cc(N4CCOCC4)n3)(CC1)C2
InChIInChI=1S/C15H21ClN4O2/c16-11-9-12(20-5-7-22-8-6-20)18-13(17-11)19-14-1-3-15(21,10-14)4-2-14/h9,21H,1-8,10H2,(H,17,18,19)
InChIKeySAXKGMMBPRBDBI-UHFFFAOYSA-N
XLogP1.83
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]bicyclo[2.2.1]heptan-1-ol with MolForge

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Related Compounds

4-[[4-morpholin-4-yl-6-[[5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]amino]bicyclo[2.2.1]heptan-1-ol
CID 169246367
1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea
CID 100777866
1-benzyl-3-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)thiourea
CID 100780982
4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine
CID 59529076
1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol
CID 90456839
1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-3-(3-methoxypropyl)thiourea
CID 100777462
8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane
CID 90226435
1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]thiourea
CID 100781363
4-chloro-6-morpholin-4-yl-N-(3-pyridin-3-ylphenyl)pyrimidin-2-amine
CID 59333833
1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-3-[(5-methylfuran-2-yl)methyl]thiourea
CID 100779277
[1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 170307917
N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-fluoroquinazolin-4-amine
CID 156693875

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]bicyclo[2.2.1]heptan-1-ol?
The IUPAC name of 4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]bicyclo[2.2.1]heptan-1-ol (CID 169246390) is 4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]bicyclo[2.2.1]heptan-1-ol.
What is the SMILES notation for 4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]bicyclo[2.2.1]heptan-1-ol?
The canonical SMILES for 4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]bicyclo[2.2.1]heptan-1-ol is OC12CCC(Nc3nc(Cl)cc(N4CCOCC4)n3)(CC1)C2.
What is the InChIKey of 4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]bicyclo[2.2.1]heptan-1-ol?
The InChIKey is SAXKGMMBPRBDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2/c16-11-9-12(20-5-7-22-8-6-20)18-13(17-11)19-14-1-3-15(21,10-14)4-2-14/h9,21H,1-8,10H2,(H,17,18,19).
What are the key properties of 4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]bicyclo[2.2.1]heptan-1-ol?
4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]bicyclo[2.2.1]heptan-1-ol has a molecular weight of 324.81 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]bicyclo[2.2.1]heptan-1-ol is sourced from PubChem (CID 169246390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).