methyl 12-(2-aminopyrimidin-5-yl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxylate

C19H22N8O3 — CID 52917086

IUPACmethyl 12-(2-aminopyrimidin-5-yl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxylate
SMILESCOC(=O)N1CCc2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4)cn3c2C1
InChIInChI=1S/C19H22N8O3/c1-29-19(28)26-3-2-13-15(11-26)27-10-14(12-8-21-18(20)22-9-12)24-16(17(27)23-13)25-4-6-30-7-5-25/h8-10H,2-7,11H2,1H3,(H2,20,21,22)
InChIKeyKNNXJUNSKCJMOM-UHFFFAOYSA-N
MW410.44 g/mol
LogP0.73
Rot. Bonds2

About methyl 12-(2-aminopyrimidin-5-yl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxylate

methyl 12-(2-aminopyrimidin-5-yl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxylate (PubChem CID 52917086) has the molecular formula C19H22N8O3 and a molecular weight of 410.44 g/mol. Its IUPAC name is methyl 12-(2-aminopyrimidin-5-yl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxylate.

Molecular Properties

Compound Namemethyl 12-(2-aminopyrimidin-5-yl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxylate
PubChem CID52917086
Molecular FormulaC19H22N8O3
Molecular Weight410.44 g/mol
Exact Mass410.18
IUPAC Namemethyl 12-(2-aminopyrimidin-5-yl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxylate
SMILESCOC(=O)N1CCc2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4)cn3c2C1
InChIInChI=1S/C19H22N8O3/c1-29-19(28)26-3-2-13-15(11-26)27-10-14(12-8-21-18(20)22-9-12)24-16(17(27)23-13)25-4-6-30-7-5-25/h8-10H,2-7,11H2,1H3,(H2,20,21,22)
InChIKeyKNNXJUNSKCJMOM-UHFFFAOYSA-N
XLogP0.73
TPSA124.00 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 12-(2-aminopyrimidin-5-yl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxylate with MolForge

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Related Compounds

5-(5-methylsulfonyl-10-morpholin-4-yl-1,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl)pyrimidin-2-amine
CID 52917534
5-[5-[(4-methoxyphenyl)methyl]-10-morpholin-4-yl-1,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl]pyrimidin-2-amine
CID 52917607
5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)pyrimidin-2-amine
CID 90067946
6-(2-aminopyrimidin-5-yl)-N-(3-methoxypropyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 70694722
ethyl 4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
CID 90067991
N-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]benzamide
CID 175883788
5-(2-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)pyrimidin-2-amine
CID 90067938
2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide
CID 54670188
2-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 71466706
5-[8-morpholin-4-yl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine
CID 118213413
4-(3-methyl-6-phenylimidazo[1,2-a]pyrazin-8-yl)morpholine
CID 90084217
4-[6-(3-methoxyphenyl)-2,3-dimethylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 135292557

Frequently Asked Questions

What is the IUPAC name of methyl 12-(2-aminopyrimidin-5-yl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxylate?
The IUPAC name of methyl 12-(2-aminopyrimidin-5-yl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxylate (CID 52917086) is methyl 12-(2-aminopyrimidin-5-yl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxylate.
What is the SMILES notation for methyl 12-(2-aminopyrimidin-5-yl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxylate?
The canonical SMILES for methyl 12-(2-aminopyrimidin-5-yl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxylate is COC(=O)N1CCc2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4)cn3c2C1.
What is the InChIKey of methyl 12-(2-aminopyrimidin-5-yl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxylate?
The InChIKey is KNNXJUNSKCJMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O3/c1-29-19(28)26-3-2-13-15(11-26)27-10-14(12-8-21-18(20)22-9-12)24-16(17(27)23-13)25-4-6-30-7-5-25/h8-10H,2-7,11H2,1H3,(H2,20,21,22).
What are the key properties of methyl 12-(2-aminopyrimidin-5-yl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxylate?
methyl 12-(2-aminopyrimidin-5-yl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxylate has a molecular weight of 410.44 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 12-(2-aminopyrimidin-5-yl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxylate is sourced from PubChem (CID 52917086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).