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

C21H29N9O2 — CID 170394748

IUPAC4-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
SMILESCN(C)c1ccnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)n1
InChIInChI=1S/C21H29N9O2/c1-28(2)17-7-8-22-20(26-17)25-15-3-5-16(6-4-15)32-21-27-19(29-9-11-31-12-10-29)13-18-23-14-24-30(18)21/h7-8,13-16H,3-6,9-12H2,1-2H3,(H,22,25,26)
InChIKeyNXTUUHOBDFDPQV-UHFFFAOYSA-N
MW439.52 g/mol
LogP1.62
Rot. Bonds6

About 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

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 (PubChem CID 170394748) has the molecular formula C21H29N9O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID170394748
Molecular FormulaC21H29N9O2
Molecular Weight439.52 g/mol
Exact Mass439.24
IUPAC Name4-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
SMILESCN(C)c1ccnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)n1
InChIInChI=1S/C21H29N9O2/c1-28(2)17-7-8-22-20(26-17)25-15-3-5-16(6-4-15)32-21-27-19(29-9-11-31-12-10-29)13-18-23-14-24-30(18)21/h7-8,13-16H,3-6,9-12H2,1-2H3,(H,22,25,26)
InChIKeyNXTUUHOBDFDPQV-UHFFFAOYSA-N
XLogP1.62
TPSA105.83 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

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
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
2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 146128905
2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
CID 133383721
2-[4-[[5-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexyl]oxy-6-imino-4-morpholin-4-ylpyrimidin-1-amine
CID 170573053
1-[2-[[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-4-yl]oxypropan-2-one
CID 175633431
2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171995725
4-[2-(dimethylamino)ethoxy]-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 121335599
4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 171340440
5-iodo-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
CID 165113010

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)c1ccnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)n1.
What is the InChIKey of 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?
The InChIKey is NXTUUHOBDFDPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N9O2/c1-28(2)17-7-8-22-20(26-17)25-15-3-5-16(6-4-15)32-21-27-19(29-9-11-31-12-10-29)13-18-23-14-24-30(18)21/h7-8,13-16H,3-6,9-12H2,1-2H3,(H,22,25,26).
What are the key properties of 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?
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 has a molecular weight of 439.52 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170394748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).