N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine

C22H24FN5 — CID 112898510

IUPACN-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1ccc(Nc2ccnc(N3CCN(c4ccccc4F)CC3)n2)c(C)c1
InChIInChI=1S/C22H24FN5/c1-16-7-8-19(17(2)15-16)25-21-9-10-24-22(26-21)28-13-11-27(12-14-28)20-6-4-3-5-18(20)23/h3-10,15H,11-14H2,1-2H3,(H,24,25,26)
InChIKeyHGYIICBXWBQXBA-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.30
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine

N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 112898510) has the molecular formula C22H24FN5 and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID112898510
Molecular FormulaC22H24FN5
Molecular Weight377.47 g/mol
Exact Mass377.20
IUPAC NameN-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1ccc(Nc2ccnc(N3CCN(c4ccccc4F)CC3)n2)c(C)c1
InChIInChI=1S/C22H24FN5/c1-16-7-8-19(17(2)15-16)25-21-9-10-24-22(26-21)28-13-11-27(12-14-28)20-6-4-3-5-18(20)23/h3-10,15H,11-14H2,1-2H3,(H,24,25,26)
InChIKeyHGYIICBXWBQXBA-UHFFFAOYSA-N
XLogP4.30
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine
CID 112898537
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 112898551
N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898168
N-(2,4-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898451
N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898527
N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899013
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine
CID 112898533
N-(1,3-benzodioxol-5-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898542
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112885713
N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896522
4-[4-[4-(diethylamino)-2-methylanilino]pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112888796
N-(2,4-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957389

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine (CID 112898510) is N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine is Cc1ccc(Nc2ccnc(N3CCN(c4ccccc4F)CC3)n2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is HGYIICBXWBQXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5/c1-16-7-8-19(17(2)15-16)25-21-9-10-24-22(26-21)28-13-11-27(12-14-28)20-6-4-3-5-18(20)23/h3-10,15H,11-14H2,1-2H3,(H,24,25,26).
What are the key properties of N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 377.47 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 112898510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).