(7R)-7-(2,4-difluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

C24H23F2N7O — CID 58075630

IUPAC(7R)-7-(2,4-difluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccc(-n3cnc(C)n3)c(OC)c2)nc2c1CC[C@@H]2c1ccc(F)cc1F
InChIInChI=1S/C24H23F2N7O/c1-13-28-12-33(32-13)20-9-5-15(11-21(20)34-3)29-24-30-22-17(7-8-18(22)23(27-2)31-24)16-6-4-14(25)10-19(16)26/h4-6,9-12,17H,7-8H2,1-3H3,(H2,27,29,30,31)/t17-/m1/s1
InChIKeyUVMGCXNZRIZVBS-QGZVFWFLSA-N
MW463.49 g/mol
LogP4.52
Rot. Bonds6

About (7R)-7-(2,4-difluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

(7R)-7-(2,4-difluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine (PubChem CID 58075630) has the molecular formula C24H23F2N7O and a molecular weight of 463.49 g/mol. Its IUPAC name is (7R)-7-(2,4-difluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name(7R)-7-(2,4-difluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
PubChem CID58075630
Molecular FormulaC24H23F2N7O
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC Name(7R)-7-(2,4-difluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccc(-n3cnc(C)n3)c(OC)c2)nc2c1CC[C@@H]2c1ccc(F)cc1F
InChIInChI=1S/C24H23F2N7O/c1-13-28-12-33(32-13)20-9-5-15(11-21(20)34-3)29-24-30-22-17(7-8-18(22)23(27-2)31-24)16-6-4-14(25)10-19(16)26/h4-6,9-12,17H,7-8H2,1-3H3,(H2,27,29,30,31)/t17-/m1/s1
InChIKeyUVMGCXNZRIZVBS-QGZVFWFLSA-N
XLogP4.52
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (7R)-7-(2,4-difluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2,4-difluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The IUPAC name of (7R)-7-(2,4-difluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine (CID 58075630) is (7R)-7-(2,4-difluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for (7R)-7-(2,4-difluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The canonical SMILES for (7R)-7-(2,4-difluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine is CNc1nc(Nc2ccc(-n3cnc(C)n3)c(OC)c2)nc2c1CC[C@@H]2c1ccc(F)cc1F.
What is the InChIKey of (7R)-7-(2,4-difluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The InChIKey is UVMGCXNZRIZVBS-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23F2N7O/c1-13-28-12-33(32-13)20-9-5-15(11-21(20)34-3)29-24-30-22-17(7-8-18(22)23(27-2)31-24)16-6-4-14(25)10-19(16)26/h4-6,9-12,17H,7-8H2,1-3H3,(H2,27,29,30,31)/t17-/m1/s1.
What are the key properties of (7R)-7-(2,4-difluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
(7R)-7-(2,4-difluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine has a molecular weight of 463.49 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2,4-difluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 58075630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).