4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide

C22H23FN6O2 — CID 53144015

IUPAC4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N3CCN(c4ccc(F)cc4)CC3)nc2N)cc1
InChIInChI=1S/C22H23FN6O2/c1-31-18-8-4-16(5-9-18)26-21(30)19-14-25-22(27-20(19)24)29-12-10-28(11-13-29)17-6-2-15(23)3-7-17/h2-9,14H,10-13H2,1H3,(H,26,30)(H2,24,25,27)
InChIKeyWZXNHZUJXKPMPJ-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.79
Rot. Bonds5

About 4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide

4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 53144015) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
PubChem CID53144015
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N3CCN(c4ccc(F)cc4)CC3)nc2N)cc1
InChIInChI=1S/C22H23FN6O2/c1-31-18-8-4-16(5-9-18)26-21(30)19-14-25-22(27-20(19)24)29-12-10-28(11-13-29)17-6-2-15(23)3-7-17/h2-9,14H,10-13H2,1H3,(H,26,30)(H2,24,25,27)
InChIKeyWZXNHZUJXKPMPJ-UHFFFAOYSA-N
XLogP2.79
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 172594354
4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 53490821
4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide
CID 53144022
N-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 75538788
2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 53094208
4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 53336252
4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 53143924
4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53336276
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18078500
N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
2-bromo-5-methoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122299391
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide (CID 53144015) is 4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(N3CCN(c4ccc(F)cc4)CC3)nc2N)cc1.
What is the InChIKey of 4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is WZXNHZUJXKPMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-31-18-8-4-16(5-9-18)26-21(30)19-14-25-22(27-20(19)24)29-12-10-28(11-13-29)17-6-2-15(23)3-7-17/h2-9,14H,10-13H2,1H3,(H,26,30)(H2,24,25,27).
What are the key properties of 4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide?
4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 53144015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).