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

C22H23F2N5 — CID 112917640

IUPACN-[(4-fluorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ccccc3F)CC2)nc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C22H23F2N5/c1-16-14-21(27-22(26-16)25-15-17-6-8-18(23)9-7-17)29-12-10-28(11-13-29)20-5-3-2-4-19(20)24/h2-9,14H,10-13,15H2,1H3,(H,25,26,27)
InChIKeyMISSLGQNEYQXKK-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.00
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 112917640) has the molecular formula C22H23F2N5 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
PubChem CID112917640
Molecular FormulaC22H23F2N5
Molecular Weight395.46 g/mol
Exact Mass395.19
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ccccc3F)CC2)nc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C22H23F2N5/c1-16-14-21(27-22(26-16)25-15-17-6-8-18(23)9-7-17)29-12-10-28(11-13-29)20-5-3-2-4-19(20)24/h2-9,14H,10-13,15H2,1H3,(H,25,26,27)
InChIKeyMISSLGQNEYQXKK-UHFFFAOYSA-N
XLogP4.00
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910693
N-benzyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112915664
N-cyclopropyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112907585
N-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913799
4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913782
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 62483420
N-[(4-chlorophenyl)methyl]-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112918088
N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine
CID 7390893
N-[(2-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910692
N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934497
N-[2-(2-fluorophenyl)ethyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909263
N-[2-(2-fluorophenyl)ethyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910002

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine (CID 112917640) is N-[(4-fluorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine is Cc1cc(N2CCN(c3ccccc3F)CC2)nc(NCc2ccc(F)cc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is MISSLGQNEYQXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5/c1-16-14-21(27-22(26-16)25-15-17-6-8-18(23)9-7-17)29-12-10-28(11-13-29)20-5-3-2-4-19(20)24/h2-9,14H,10-13,15H2,1H3,(H,25,26,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
N-[(4-fluorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 395.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112917640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).