4-[5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide

C27H32FN5O2 — CID 44522170

IUPAC4-[5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOCc1nc(-c2ccccc2)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1ccccc1F
InChIInChI=1S/C27H32FN5O2/c1-19(2)29-27(34)33-15-13-32(14-16-33)26-22(17-21-11-7-8-12-23(21)28)24(18-35-3)30-25(31-26)20-9-5-4-6-10-20/h4-12,19H,13-18H2,1-3H3,(H,29,34)
InChIKeyKWYMUJOTAZKPFV-UHFFFAOYSA-N
MW477.58 g/mol
LogP4.26
Rot. Bonds7

About 4-[5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide

4-[5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 44522170) has the molecular formula C27H32FN5O2 and a molecular weight of 477.58 g/mol. Its IUPAC name is 4-[5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID44522170
Molecular FormulaC27H32FN5O2
Molecular Weight477.58 g/mol
Exact Mass477.25
IUPAC Name4-[5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOCc1nc(-c2ccccc2)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1ccccc1F
InChIInChI=1S/C27H32FN5O2/c1-19(2)29-27(34)33-15-13-32(14-16-33)26-22(17-21-11-7-8-12-23(21)28)24(18-35-3)30-25(31-26)20-9-5-4-6-10-20/h4-12,19H,13-18H2,1-3H3,(H,29,34)
InChIKeyKWYMUJOTAZKPFV-UHFFFAOYSA-N
XLogP4.26
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide 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-[5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide (CID 44522170) is 4-[5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide is COCc1nc(-c2ccccc2)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1ccccc1F.
What is the InChIKey of 4-[5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is KWYMUJOTAZKPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O2/c1-19(2)29-27(34)33-15-13-32(14-16-33)26-22(17-21-11-7-8-12-23(21)28)24(18-35-3)30-25(31-26)20-9-5-4-6-10-20/h4-12,19H,13-18H2,1-3H3,(H,29,34).
What are the key properties of 4-[5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide?
4-[5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 477.58 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 44522170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).