10-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine

C19H22N6S — CID 55829913

IUPAC10-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
SMILESCc1nc(NC2CCCN(c3ncccn3)C2)c2c3c(sc2n1)CCC3
InChIInChI=1S/C19H22N6S/c1-12-22-17(16-14-6-2-7-15(14)26-18(16)23-12)24-13-5-3-10-25(11-13)19-20-8-4-9-21-19/h4,8-9,13H,2-3,5-7,10-11H2,1H3,(H,22,23,24)
InChIKeySEYNYOSRZDLGCJ-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.36
Rot. Bonds3

About 10-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine

10-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine (PubChem CID 55829913) has the molecular formula C19H22N6S and a molecular weight of 366.49 g/mol. Its IUPAC name is 10-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine.

Molecular Properties

Compound Name10-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
PubChem CID55829913
Molecular FormulaC19H22N6S
Molecular Weight366.49 g/mol
Exact Mass366.16
IUPAC Name10-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
SMILESCc1nc(NC2CCCN(c3ncccn3)C2)c2c3c(sc2n1)CCC3
InChIInChI=1S/C19H22N6S/c1-12-22-17(16-14-6-2-7-15(14)26-18(16)23-12)24-13-5-3-10-25(11-13)19-20-8-4-9-21-19/h4,8-9,13H,2-3,5-7,10-11H2,1H3,(H,22,23,24)
InChIKeySEYNYOSRZDLGCJ-UHFFFAOYSA-N
XLogP3.36
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 10-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine with MolForge

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Related Compounds

N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 133330009
10-methyl-N-(1-propylpiperidin-1-ium-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 8567083
(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine
CID 789820
(7R)-N-cyclohexyl-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 829628
methyl 3-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]piperidine-1-carboxylate
CID 133275699
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 700882
3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129476201
N-[(2-methoxy-3-pyridinyl)methyl]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 30826150
N-benzyl-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 9211564
1-[1-(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-4-yl]-3-phenylurea
CID 60570046
10-methyl-12-pyrimidin-2-ylsulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene
CID 9332712
(5-methyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yl)hydrazine
CID 16656117

Frequently Asked Questions

What is the IUPAC name of 10-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine?
The IUPAC name of 10-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine (CID 55829913) is 10-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine.
What is the SMILES notation for 10-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine?
The canonical SMILES for 10-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine is Cc1nc(NC2CCCN(c3ncccn3)C2)c2c3c(sc2n1)CCC3.
What is the InChIKey of 10-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine?
The InChIKey is SEYNYOSRZDLGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6S/c1-12-22-17(16-14-6-2-7-15(14)26-18(16)23-12)24-13-5-3-10-25(11-13)19-20-8-4-9-21-19/h4,8-9,13H,2-3,5-7,10-11H2,1H3,(H,22,23,24).
What are the key properties of 10-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine?
10-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine has a molecular weight of 366.49 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine is sourced from PubChem (CID 55829913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).