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

C20H20Cl2N6 — CID 19139109

IUPAC4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
SMILESNc1c(Nc2ccccc2Cl)ncnc1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H20Cl2N6/c21-14-4-3-5-15(12-14)27-8-10-28(11-9-27)20-18(23)19(24-13-25-20)26-17-7-2-1-6-16(17)22/h1-7,12-13H,8-11,23H2,(H,24,25,26)
InChIKeyCPFBRTCCZGELCI-UHFFFAOYSA-N
MW415.33 g/mol
LogP4.44
Rot. Bonds4

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

4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine (PubChem CID 19139109) has the molecular formula C20H20Cl2N6 and a molecular weight of 415.33 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
PubChem CID19139109
Molecular FormulaC20H20Cl2N6
Molecular Weight415.33 g/mol
Exact Mass414.11
IUPAC Name4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
SMILESNc1c(Nc2ccccc2Cl)ncnc1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H20Cl2N6/c21-14-4-3-5-15(12-14)27-8-10-28(11-9-27)20-18(23)19(24-13-25-20)26-17-7-2-1-6-16(17)22/h1-7,12-13H,8-11,23H2,(H,24,25,26)
InChIKeyCPFBRTCCZGELCI-UHFFFAOYSA-N
XLogP4.44
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
CID 19139127
6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 22541841
4-N-(3-bromophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139169
4-N-benzyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19136143
4-N-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
CID 19137305
6-(4-benzylpiperazin-1-yl)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19139283
6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 19139170
4-N-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19146907
N'-[5-amino-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19139147
N'-[5-amino-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19139156
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
CID 19138163
4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138559

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine (CID 19139109) is 4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine is Nc1c(Nc2ccccc2Cl)ncnc1N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
The InChIKey is CPFBRTCCZGELCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N6/c21-14-4-3-5-15(12-14)27-8-10-28(11-9-27)20-18(23)19(24-13-25-20)26-17-7-2-1-6-16(17)22/h1-7,12-13H,8-11,23H2,(H,24,25,26).
What are the key properties of 4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine has a molecular weight of 415.33 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine is sourced from PubChem (CID 19139109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).