4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide

C17H21FN6O — CID 53143993

IUPAC4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCN1CCN(c2ncc(C(=O)NCc3ccccc3F)c(N)n2)CC1
InChIInChI=1S/C17H21FN6O/c1-23-6-8-24(9-7-23)17-21-11-13(15(19)22-17)16(25)20-10-12-4-2-3-5-14(12)18/h2-5,11H,6-10H2,1H3,(H,20,25)(H2,19,21,22)
InChIKeyLLVRPUYAYNNBPV-UHFFFAOYSA-N
MW344.39 g/mol
LogP0.88
Rot. Bonds4

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

4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 53143993) has the molecular formula C17H21FN6O and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID53143993
Molecular FormulaC17H21FN6O
Molecular Weight344.39 g/mol
Exact Mass344.18
IUPAC Name4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCN1CCN(c2ncc(C(=O)NCc3ccccc3F)c(N)n2)CC1
InChIInChI=1S/C17H21FN6O/c1-23-6-8-24(9-7-23)17-21-11-13(15(19)22-17)16(25)20-10-12-4-2-3-5-14(12)18/h2-5,11H,6-10H2,1H3,(H,20,25)(H2,19,21,22)
InChIKeyLLVRPUYAYNNBPV-UHFFFAOYSA-N
XLogP0.88
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53143942
2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109254745
N-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345531
N-[(2,4-difluorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 90887212
2-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256918
N-[2-(2-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302046
N-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 53080214
2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109302379
2-amino-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide;formaldehyde
CID 158871409
4-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 53143999
N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66505284
ethyl 1-[4-amino-5-(benzylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 53143945

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 53143993) is 4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide is CN1CCN(c2ncc(C(=O)NCc3ccccc3F)c(N)n2)CC1.
What is the InChIKey of 4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is LLVRPUYAYNNBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O/c1-23-6-8-24(9-7-23)17-21-11-13(15(19)22-17)16(25)20-10-12-4-2-3-5-14(12)18/h2-5,11H,6-10H2,1H3,(H,20,25)(H2,19,21,22).
What are the key properties of 4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 53143993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).