N-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine

C22H24FN5O — CID 112875375

IUPACN-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
SMILESCOc1ccccc1N1CCN(c2cc(Nc3ccccc3F)nc(C)n2)CC1
InChIInChI=1S/C22H24FN5O/c1-16-24-21(26-18-8-4-3-7-17(18)23)15-22(25-16)28-13-11-27(12-14-28)19-9-5-6-10-20(19)29-2/h3-10,15H,11-14H2,1-2H3,(H,24,25,26)
InChIKeyWNMSULNQWFABMI-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.00
Rot. Bonds5

About N-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine

N-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine (PubChem CID 112875375) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
PubChem CID112875375
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC NameN-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
SMILESCOc1ccccc1N1CCN(c2cc(Nc3ccccc3F)nc(C)n2)CC1
InChIInChI=1S/C22H24FN5O/c1-16-24-21(26-18-8-4-3-7-17(18)23)15-22(25-16)28-13-11-27(12-14-28)19-9-5-6-10-20(19)29-2/h3-10,15H,11-14H2,1-2H3,(H,24,25,26)
InChIKeyWNMSULNQWFABMI-UHFFFAOYSA-N
XLogP4.00
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874750
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869929
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 112863083
1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193622
4-N-(2,4-dimethoxyphenyl)-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877821
6-N-(2-fluorophenyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112877851
4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112878299
N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868570
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877853
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 155823172
N-(2-methoxyphenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876573
2-methyl-6-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112870777

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine (CID 112875375) is N-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine is COc1ccccc1N1CCN(c2cc(Nc3ccccc3F)nc(C)n2)CC1.
What is the InChIKey of N-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine?
The InChIKey is WNMSULNQWFABMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-16-24-21(26-18-8-4-3-7-17(18)23)15-22(25-16)28-13-11-27(12-14-28)19-9-5-6-10-20(19)29-2/h3-10,15H,11-14H2,1-2H3,(H,24,25,26).
What are the key properties of N-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine?
N-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine has a molecular weight of 393.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112875375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).