4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine

C17H18ClN5O — CID 121275852

IUPAC4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine
SMILESCc1nn(C)c2cc(-c3cc(Cl)nc(N4CCOCC4)n3)ccc12
InChIInChI=1S/C17H18ClN5O/c1-11-13-4-3-12(9-15(13)22(2)21-11)14-10-16(18)20-17(19-14)23-5-7-24-8-6-23/h3-4,9-10H,5-8H2,1-2H3
InChIKeyVEEFIXGCTHIGND-UHFFFAOYSA-N
MW343.82 g/mol
LogP2.83
Rot. Bonds2

About 4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine

4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine (PubChem CID 121275852) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine
PubChem CID121275852
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine
SMILESCc1nn(C)c2cc(-c3cc(Cl)nc(N4CCOCC4)n3)ccc12
InChIInChI=1S/C17H18ClN5O/c1-11-13-4-3-12(9-15(13)22(2)21-11)14-10-16(18)20-17(19-14)23-5-7-24-8-6-23/h3-4,9-10H,5-8H2,1-2H3
InChIKeyVEEFIXGCTHIGND-UHFFFAOYSA-N
XLogP2.83
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]pyrimidin-4-amine
CID 121275812
6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylic acid
CID 121272415
6-(1,3-dimethylindazol-6-yl)-N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]phenyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 121272396
N-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 121272239
4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine
CID 87606474
N-[6-[3-(2-aminoethyl)-1-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine
CID 121272192
1-methyl-N-[6-(1-methyl-3-pentylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine
CID 146922635
4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
CID 2992799
6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile
CID 39380254
4-[4-chloro-6-(1-methylcyclopropyl)pyrimidin-2-yl]morpholine
CID 145100368
5-(3,5-dichlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 22360304
3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 58268960

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine (CID 121275852) is 4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine is Cc1nn(C)c2cc(-c3cc(Cl)nc(N4CCOCC4)n3)ccc12.
What is the InChIKey of 4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine?
The InChIKey is VEEFIXGCTHIGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-11-13-4-3-12(9-15(13)22(2)21-11)14-10-16(18)20-17(19-14)23-5-7-24-8-6-23/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine?
4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine has a molecular weight of 343.82 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 121275852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).