(7R)-7-(4-fluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-diamine

C25H26FN7O — CID 58075739

IUPAC(7R)-7-(4-fluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccc(-n3cnc(C)n3)c(OC)c2)nc2c1CC[C@]2(C)c1ccc(F)cc1
InChIInChI=1S/C25H26FN7O/c1-15-28-14-33(32-15)20-10-9-18(13-21(20)34-4)29-24-30-22-19(23(27-3)31-24)11-12-25(22,2)16-5-7-17(26)8-6-16/h5-10,13-14H,11-12H2,1-4H3,(H2,27,29,30,31)/t25-/m1/s1
InChIKeyBVRCVYJJLSBRDS-RUZDIDTESA-N
MW459.53 g/mol
LogP4.55
Rot. Bonds6

About (7R)-7-(4-fluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-diamine

(7R)-7-(4-fluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-diamine (PubChem CID 58075739) has the molecular formula C25H26FN7O and a molecular weight of 459.53 g/mol. Its IUPAC name is (7R)-7-(4-fluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name(7R)-7-(4-fluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-diamine
PubChem CID58075739
Molecular FormulaC25H26FN7O
Molecular Weight459.53 g/mol
Exact Mass459.22
IUPAC Name(7R)-7-(4-fluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccc(-n3cnc(C)n3)c(OC)c2)nc2c1CC[C@]2(C)c1ccc(F)cc1
InChIInChI=1S/C25H26FN7O/c1-15-28-14-33(32-15)20-10-9-18(13-21(20)34-4)29-24-30-22-19(23(27-3)31-24)11-12-25(22,2)16-5-7-17(26)8-6-16/h5-10,13-14H,11-12H2,1-4H3,(H2,27,29,30,31)/t25-/m1/s1
InChIKeyBVRCVYJJLSBRDS-RUZDIDTESA-N
XLogP4.55
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (7R)-7-(4-fluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-fluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-diamine?
The IUPAC name of (7R)-7-(4-fluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-diamine (CID 58075739) is (7R)-7-(4-fluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for (7R)-7-(4-fluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-diamine?
The canonical SMILES for (7R)-7-(4-fluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-diamine is CNc1nc(Nc2ccc(-n3cnc(C)n3)c(OC)c2)nc2c1CC[C@]2(C)c1ccc(F)cc1.
What is the InChIKey of (7R)-7-(4-fluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-diamine?
The InChIKey is BVRCVYJJLSBRDS-RUZDIDTESA-N. The full InChI is InChI=1S/C25H26FN7O/c1-15-28-14-33(32-15)20-10-9-18(13-21(20)34-4)29-24-30-22-19(23(27-3)31-24)11-12-25(22,2)16-5-7-17(26)8-6-16/h5-10,13-14H,11-12H2,1-4H3,(H2,27,29,30,31)/t25-/m1/s1.
What are the key properties of (7R)-7-(4-fluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-diamine?
(7R)-7-(4-fluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-diamine has a molecular weight of 459.53 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(4-fluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 58075739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).