4-N-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine

C20H19Cl2FN6 — CID 19146907

IUPAC4-N-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
SMILESNc1c(Nc2cccc(Cl)c2Cl)ncnc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19Cl2FN6/c21-15-2-1-3-16(17(15)22)27-19-18(24)20(26-12-25-19)29-10-8-28(9-11-29)14-6-4-13(23)5-7-14/h1-7,12H,8-11,24H2,(H,25,26,27)
InChIKeyIJDWVPWSRRFHRM-UHFFFAOYSA-N
MW433.32 g/mol
LogP4.57
Rot. Bonds4

About 4-N-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine

4-N-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine (PubChem CID 19146907) has the molecular formula C20H19Cl2FN6 and a molecular weight of 433.32 g/mol. Its IUPAC name is 4-N-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
PubChem CID19146907
Molecular FormulaC20H19Cl2FN6
Molecular Weight433.32 g/mol
Exact Mass432.10
IUPAC Name4-N-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
SMILESNc1c(Nc2cccc(Cl)c2Cl)ncnc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19Cl2FN6/c21-15-2-1-3-16(17(15)22)27-19-18(24)20(26-12-25-19)29-10-8-28(9-11-29)14-6-4-13(23)5-7-14/h1-7,12H,8-11,24H2,(H,25,26,27)
InChIKeyIJDWVPWSRRFHRM-UHFFFAOYSA-N
XLogP4.57
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.32
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(4-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine
CID 19147855
4-N-(3-chloro-4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19153078
4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138559
4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139109
4-N-(3-chloro-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22545332
6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
CID 19139127
4-N-(1,3-benzodioxol-5-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22542204
6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19137206
6-(4-benzylpiperazin-1-yl)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19139283
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139002
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22541156
4-N-(2-ethoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139028

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine (CID 19146907) is 4-N-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine is Nc1c(Nc2cccc(Cl)c2Cl)ncnc1N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-N-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
The InChIKey is IJDWVPWSRRFHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2FN6/c21-15-2-1-3-16(17(15)22)27-19-18(24)20(26-12-25-19)29-10-8-28(9-11-29)14-6-4-13(23)5-7-14/h1-7,12H,8-11,24H2,(H,25,26,27).
What are the key properties of 4-N-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
4-N-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine has a molecular weight of 433.32 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine is sourced from PubChem (CID 19146907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).