(15R)-5-[(6-chloropyrimidin-4-yl)amino]-15-methyl-11-oxa-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one

C19H15ClN6O2 — CID 167483619

IUPAC(15R)-5-[(6-chloropyrimidin-4-yl)amino]-15-methyl-11-oxa-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
SMILESC[C@@H]1CNc2c(oc3ccc4nc(Nc5cc(Cl)ncn5)ccc4c23)C(=O)N1
InChIInChI=1S/C19H15ClN6O2/c1-9-7-21-17-16-10-2-5-14(26-15-6-13(20)22-8-23-15)25-11(10)3-4-12(16)28-18(17)19(27)24-9/h2-6,8-9,21H,7H2,1H3,(H,24,27)(H,22,23,25,26)/t9-/m1/s1
InChIKeyXUPPUAPSHSMKGR-SECBINFHSA-N
MW394.82 g/mol
LogP3.71
Rot. Bonds2

About (15R)-5-[(6-chloropyrimidin-4-yl)amino]-15-methyl-11-oxa-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one

(15R)-5-[(6-chloropyrimidin-4-yl)amino]-15-methyl-11-oxa-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one (PubChem CID 167483619) has the molecular formula C19H15ClN6O2 and a molecular weight of 394.82 g/mol. Its IUPAC name is (15R)-5-[(6-chloropyrimidin-4-yl)amino]-15-methyl-11-oxa-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one.

Molecular Properties

Compound Name(15R)-5-[(6-chloropyrimidin-4-yl)amino]-15-methyl-11-oxa-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
PubChem CID167483619
Molecular FormulaC19H15ClN6O2
Molecular Weight394.82 g/mol
Exact Mass394.09
IUPAC Name(15R)-5-[(6-chloropyrimidin-4-yl)amino]-15-methyl-11-oxa-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
SMILESC[C@@H]1CNc2c(oc3ccc4nc(Nc5cc(Cl)ncn5)ccc4c23)C(=O)N1
InChIInChI=1S/C19H15ClN6O2/c1-9-7-21-17-16-10-2-5-14(26-15-6-13(20)22-8-23-15)25-11(10)3-4-12(16)28-18(17)19(27)24-9/h2-6,8-9,21H,7H2,1H3,(H,24,27)(H,22,23,25,26)/t9-/m1/s1
InChIKeyXUPPUAPSHSMKGR-SECBINFHSA-N
XLogP3.71
TPSA104.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (15R)-5-[(6-chloropyrimidin-4-yl)amino]-15-methyl-11-oxa-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (15R)-5-[(6-chloropyrimidin-4-yl)amino]-15-methyl-11-oxa-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one?
The IUPAC name of (15R)-5-[(6-chloropyrimidin-4-yl)amino]-15-methyl-11-oxa-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one (CID 167483619) is (15R)-5-[(6-chloropyrimidin-4-yl)amino]-15-methyl-11-oxa-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one.
What is the SMILES notation for (15R)-5-[(6-chloropyrimidin-4-yl)amino]-15-methyl-11-oxa-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one?
The canonical SMILES for (15R)-5-[(6-chloropyrimidin-4-yl)amino]-15-methyl-11-oxa-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one is C[C@@H]1CNc2c(oc3ccc4nc(Nc5cc(Cl)ncn5)ccc4c23)C(=O)N1.
What is the InChIKey of (15R)-5-[(6-chloropyrimidin-4-yl)amino]-15-methyl-11-oxa-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one?
The InChIKey is XUPPUAPSHSMKGR-SECBINFHSA-N. The full InChI is InChI=1S/C19H15ClN6O2/c1-9-7-21-17-16-10-2-5-14(26-15-6-13(20)22-8-23-15)25-11(10)3-4-12(16)28-18(17)19(27)24-9/h2-6,8-9,21H,7H2,1H3,(H,24,27)(H,22,23,25,26)/t9-/m1/s1.
What are the key properties of (15R)-5-[(6-chloropyrimidin-4-yl)amino]-15-methyl-11-oxa-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one?
(15R)-5-[(6-chloropyrimidin-4-yl)amino]-15-methyl-11-oxa-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one has a molecular weight of 394.82 g/mol, XLogP of 3.71, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (15R)-5-[(6-chloropyrimidin-4-yl)amino]-15-methyl-11-oxa-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one is sourced from PubChem (CID 167483619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).