4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine

C20H21FN6 — CID 19138559

IUPAC4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESNc1c(Nc2ccccc2F)ncnc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H21FN6/c21-16-8-4-5-9-17(16)25-19-18(22)20(24-14-23-19)27-12-10-26(11-13-27)15-6-2-1-3-7-15/h1-9,14H,10-13,22H2,(H,23,24,25)
InChIKeyUYFILSGKWZUAAU-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.27
Rot. Bonds4

About 4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine

4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine (PubChem CID 19138559) has the molecular formula C20H21FN6 and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
PubChem CID19138559
Molecular FormulaC20H21FN6
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC Name4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESNc1c(Nc2ccccc2F)ncnc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H21FN6/c21-16-8-4-5-9-17(16)25-19-18(22)20(24-14-23-19)27-12-10-26(11-13-27)15-6-2-1-3-7-15/h1-9,14H,10-13,22H2,(H,23,24,25)
InChIKeyUYFILSGKWZUAAU-UHFFFAOYSA-N
XLogP3.27
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19145227
6-[4-(4-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine
CID 19147855
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine
CID 19147854
4-N-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19146907
4-[[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 19138679
4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139109
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine
CID 19144818
4-N-(3-bromophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138641
4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138304
6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
CID 19139127
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138687
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19144398

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine (CID 19138559) is 4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine is Nc1c(Nc2ccccc2F)ncnc1N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is UYFILSGKWZUAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6/c21-16-8-4-5-9-17(16)25-19-18(22)20(24-14-23-19)27-12-10-26(11-13-27)15-6-2-1-3-7-15/h1-9,14H,10-13,22H2,(H,23,24,25).
What are the key properties of 4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine?
4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 364.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19138559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).