N-(3-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide

C17H18FN5O2 — CID 109326393

IUPACN-(3-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(F)c2)nc(N2CCN(C=O)CC2)n1
InChIInChI=1S/C17H18FN5O2/c1-12-9-15(16(25)20-14-4-2-3-13(18)10-14)21-17(19-12)23-7-5-22(11-24)6-8-23/h2-4,9-11H,5-8H2,1H3,(H,20,25)
InChIKeyHYFRAXACIOWOHU-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.45
Rot. Bonds4

About N-(3-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide

N-(3-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109326393) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
PubChem CID109326393
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC NameN-(3-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(F)c2)nc(N2CCN(C=O)CC2)n1
InChIInChI=1S/C17H18FN5O2/c1-12-9-15(16(25)20-14-4-2-3-13(18)10-14)21-17(19-12)23-7-5-22(11-24)6-8-23/h2-4,9-11H,5-8H2,1H3,(H,20,25)
InChIKeyHYFRAXACIOWOHU-UHFFFAOYSA-N
XLogP1.45
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326383
2-(4-formylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109326353
6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322331
N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321642
N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278
N-(3,4-difluorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109325855
N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324293
2-(4-formylpiperazin-1-yl)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109326285
N-(3-cyanophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321717
2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109326296
N-(3-fluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366981
N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326640

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide (CID 109326393) is N-(3-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(F)c2)nc(N2CCN(C=O)CC2)n1.
What is the InChIKey of N-(3-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is HYFRAXACIOWOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-12-9-15(16(25)20-14-4-2-3-13(18)10-14)21-17(19-12)23-7-5-22(11-24)6-8-23/h2-4,9-11H,5-8H2,1H3,(H,20,25).
What are the key properties of N-(3-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide?
N-(3-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109326393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).