4-[2-fluoro-4-[(7R)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-5-yl]phenyl]morpholine

C21H21FN6O — CID 135800446

IUPAC4-[2-fluoro-4-[(7R)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-5-yl]phenyl]morpholine
SMILESCc1ccccc1[C@H]1C=C(c2ccc(N3CCOCC3)c(F)c2)Nc2nnnn21
InChIInChI=1S/C21H21FN6O/c1-14-4-2-3-5-16(14)20-13-18(23-21-24-25-26-28(20)21)15-6-7-19(17(22)12-15)27-8-10-29-11-9-27/h2-7,12-13,20H,8-11H2,1H3,(H,23,24,26)/t20-/m1/s1
InChIKeyYVFCDVZADQKMTN-HXUWFJFHSA-N
MW392.44 g/mol
LogP3.01
Rot. Bonds3

About 4-[2-fluoro-4-[(7R)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-5-yl]phenyl]morpholine

4-[2-fluoro-4-[(7R)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-5-yl]phenyl]morpholine (PubChem CID 135800446) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-[2-fluoro-4-[(7R)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-5-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[2-fluoro-4-[(7R)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-5-yl]phenyl]morpholine
PubChem CID135800446
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name4-[2-fluoro-4-[(7R)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-5-yl]phenyl]morpholine
SMILESCc1ccccc1[C@H]1C=C(c2ccc(N3CCOCC3)c(F)c2)Nc2nnnn21
InChIInChI=1S/C21H21FN6O/c1-14-4-2-3-5-16(14)20-13-18(23-21-24-25-26-28(20)21)15-6-7-19(17(22)12-15)27-8-10-29-11-9-27/h2-7,12-13,20H,8-11H2,1H3,(H,23,24,26)/t20-/m1/s1
InChIKeyYVFCDVZADQKMTN-HXUWFJFHSA-N
XLogP3.01
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 4-[2-fluoro-4-[(7R)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-5-yl]phenyl]morpholine 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 4-[2-fluoro-4-[(7R)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-5-yl]phenyl]morpholine?
The IUPAC name of 4-[2-fluoro-4-[(7R)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-5-yl]phenyl]morpholine (CID 135800446) is 4-[2-fluoro-4-[(7R)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-5-yl]phenyl]morpholine.
What is the SMILES notation for 4-[2-fluoro-4-[(7R)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-5-yl]phenyl]morpholine?
The canonical SMILES for 4-[2-fluoro-4-[(7R)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-5-yl]phenyl]morpholine is Cc1ccccc1[C@H]1C=C(c2ccc(N3CCOCC3)c(F)c2)Nc2nnnn21.
What is the InChIKey of 4-[2-fluoro-4-[(7R)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-5-yl]phenyl]morpholine?
The InChIKey is YVFCDVZADQKMTN-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H21FN6O/c1-14-4-2-3-5-16(14)20-13-18(23-21-24-25-26-28(20)21)15-6-7-19(17(22)12-15)27-8-10-29-11-9-27/h2-7,12-13,20H,8-11H2,1H3,(H,23,24,26)/t20-/m1/s1.
What are the key properties of 4-[2-fluoro-4-[(7R)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-5-yl]phenyl]morpholine?
4-[2-fluoro-4-[(7R)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-5-yl]phenyl]morpholine has a molecular weight of 392.44 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-[(7R)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-5-yl]phenyl]morpholine is sourced from PubChem (CID 135800446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).