6-methyl-2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-4-carbonitrile

C21H25N9O2 — CID 170394833

IUPAC6-methyl-2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)n1
InChIInChI=1S/C21H25N9O2/c1-14-10-16(12-22)27-20(25-14)26-15-2-4-17(5-3-15)32-21-28-19(29-6-8-31-9-7-29)11-18-23-13-24-30(18)21/h10-11,13,15,17H,2-9H2,1H3,(H,25,26,27)
InChIKeyOBCBXXAOPSVOLD-UHFFFAOYSA-N
MW435.49 g/mol
LogP1.73
Rot. Bonds5

About 6-methyl-2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-4-carbonitrile

6-methyl-2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-4-carbonitrile (PubChem CID 170394833) has the molecular formula C21H25N9O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 6-methyl-2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-4-carbonitrile
PubChem CID170394833
Molecular FormulaC21H25N9O2
Molecular Weight435.49 g/mol
Exact Mass435.21
IUPAC Name6-methyl-2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)n1
InChIInChI=1S/C21H25N9O2/c1-14-10-16(12-22)27-20(25-14)26-15-2-4-17(5-3-15)32-21-28-19(29-6-8-31-9-7-29)11-18-23-13-24-30(18)21/h10-11,13,15,17H,2-9H2,1H3,(H,25,26,27)
InChIKeyOBCBXXAOPSVOLD-UHFFFAOYSA-N
XLogP1.73
TPSA126.38 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.49
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-methyl-2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-4-carbonitrile with MolForge

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Related Compounds

4-N,4-N-dimethyl-2-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidine-2,4-diamine
CID 170394748
4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexan-1-amine
CID 170338286
3-(methoxymethoxy)-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyridin-2-amine
CID 170338279
N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-6-(trifluoromethyl)pyridin-2-amine
CID 170338283
6-methyl-2-[[4-[[3-[(3-methyl-2-nitroimidazol-4-yl)methoxy]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidine-4-carbonitrile
CID 165113482
2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545212
2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107545039
6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile
CID 107545432
2-[4-[[5-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexyl]oxy-6-imino-4-morpholin-4-ylpyrimidin-1-amine
CID 170573053
4,6-dimethyl-N-[4-[[3-[[3-methyl-2-(oxidoamino)imidazol-4-yl]methoxy]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]pyrimidin-2-amine
CID 165113569
2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107545041
N-[5-[1-[[5-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy]ethyl]-1-methylimidazol-2-yl]hydroxylamine
CID 165113208

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-4-carbonitrile (CID 170394833) is 6-methyl-2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)n1.
What is the InChIKey of 6-methyl-2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-4-carbonitrile?
The InChIKey is OBCBXXAOPSVOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N9O2/c1-14-10-16(12-22)27-20(25-14)26-15-2-4-17(5-3-15)32-21-28-19(29-6-8-31-9-7-29)11-18-23-13-24-30(18)21/h10-11,13,15,17H,2-9H2,1H3,(H,25,26,27).
What are the key properties of 6-methyl-2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-4-carbonitrile?
6-methyl-2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-4-carbonitrile has a molecular weight of 435.49 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 170394833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).