4-N-[dideuterio-(4-fluorophenyl)methyl]-6-N-[dideuterio-[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide

C23H19FN6O2 — CID 162025970

IUPAC4-N-[dideuterio-(4-fluorophenyl)methyl]-6-N-[dideuterio-[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide
SMILES[2H]C([2H])(NC(=O)c1cc(C(=O)NC([2H])([2H])c2ccc(C3=NN=CC3)cc2)ncn1)c1ccc(F)cc1
InChIInChI=1S/C23H19FN6O2/c24-18-7-3-16(4-8-18)13-26-23(32)21-11-20(27-14-28-21)22(31)25-12-15-1-5-17(6-2-15)19-9-10-29-30-19/h1-8,10-11,14H,9,12-13H2,(H,25,31)(H,26,32)/i12D2,13D2
InChIKeyHZZZPPPETBVTQF-IDPVZSQYSA-N
MW434.47 g/mol
LogP2.65
Rot. Bonds7

About 4-N-[dideuterio-(4-fluorophenyl)methyl]-6-N-[dideuterio-[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide

4-N-[dideuterio-(4-fluorophenyl)methyl]-6-N-[dideuterio-[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide (PubChem CID 162025970) has the molecular formula C23H19FN6O2 and a molecular weight of 434.47 g/mol. Its IUPAC name is 4-N-[dideuterio-(4-fluorophenyl)methyl]-6-N-[dideuterio-[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

Compound Name4-N-[dideuterio-(4-fluorophenyl)methyl]-6-N-[dideuterio-[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide
PubChem CID162025970
Molecular FormulaC23H19FN6O2
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name4-N-[dideuterio-(4-fluorophenyl)methyl]-6-N-[dideuterio-[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide
SMILES[2H]C([2H])(NC(=O)c1cc(C(=O)NC([2H])([2H])c2ccc(C3=NN=CC3)cc2)ncn1)c1ccc(F)cc1
InChIInChI=1S/C23H19FN6O2/c24-18-7-3-16(4-8-18)13-26-23(32)21-11-20(27-14-28-21)22(31)25-12-15-1-5-17(6-2-15)19-9-10-29-30-19/h1-8,10-11,14H,9,12-13H2,(H,25,31)(H,26,32)/i12D2,13D2
InChIKeyHZZZPPPETBVTQF-IDPVZSQYSA-N
XLogP2.65
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[dideuterio-[4-(4H-triazol-5-yl)phenyl]methyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 148787730
6-[[dideuterio-(4-fluorophenyl)methyl]carbamoyl]pyrimidine-4-carboxylic acid
CID 118410970
methyl 4-[[[6-[[dideuterio-(4-fluorophenyl)methyl]carbamoyl]pyrimidine-4-carbonyl]amino]methyl]benzoate
CID 118410994
4-N-[dideuterio-(4-fluoro-3-methylphenyl)methyl]-6-N-[dideuterio-(4-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 118410938
6-N-benzyl-4-N-[(4-cyanophenyl)-dideuteriomethyl]pyrimidine-4,6-dicarboxamide
CID 118410976
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide
CID 91628554
methyl 4-[dideuterio-[[6-[[dideuterio-(3-methylphenyl)methyl]carbamoyl]pyrimidine-4-carbonyl]amino]methyl]benzoate
CID 118410967
N-[2-(4-fluorophenyl)ethyl]-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338676
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109345258
6-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339651
N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342768
N-[2-(4-fluorophenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351098

Frequently Asked Questions

What is the IUPAC name of 4-N-[dideuterio-(4-fluorophenyl)methyl]-6-N-[dideuterio-[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide?
The IUPAC name of 4-N-[dideuterio-(4-fluorophenyl)methyl]-6-N-[dideuterio-[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide (CID 162025970) is 4-N-[dideuterio-(4-fluorophenyl)methyl]-6-N-[dideuterio-[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide.
What is the SMILES notation for 4-N-[dideuterio-(4-fluorophenyl)methyl]-6-N-[dideuterio-[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide?
The canonical SMILES for 4-N-[dideuterio-(4-fluorophenyl)methyl]-6-N-[dideuterio-[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide is [2H]C([2H])(NC(=O)c1cc(C(=O)NC([2H])([2H])c2ccc(C3=NN=CC3)cc2)ncn1)c1ccc(F)cc1.
What is the InChIKey of 4-N-[dideuterio-(4-fluorophenyl)methyl]-6-N-[dideuterio-[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide?
The InChIKey is HZZZPPPETBVTQF-IDPVZSQYSA-N. The full InChI is InChI=1S/C23H19FN6O2/c24-18-7-3-16(4-8-18)13-26-23(32)21-11-20(27-14-28-21)22(31)25-12-15-1-5-17(6-2-15)19-9-10-29-30-19/h1-8,10-11,14H,9,12-13H2,(H,25,31)(H,26,32)/i12D2,13D2.
What are the key properties of 4-N-[dideuterio-(4-fluorophenyl)methyl]-6-N-[dideuterio-[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide?
4-N-[dideuterio-(4-fluorophenyl)methyl]-6-N-[dideuterio-[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide has a molecular weight of 434.47 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[dideuterio-(4-fluorophenyl)methyl]-6-N-[dideuterio-[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 162025970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).