6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

C24H29FN6 — CID 20825593

IUPAC6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(N(C)C)nc(N3CCN(c4ccccc4F)CC3)n2)cc1C
InChIInChI=1S/C24H29FN6/c1-17-9-10-19(15-18(17)2)26-22-16-23(29(3)4)28-24(27-22)31-13-11-30(12-14-31)21-8-6-5-7-20(21)25/h5-10,15-16H,11-14H2,1-4H3,(H,26,27,28)
InChIKeyDBMPRWPITAUCMB-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.37
Rot. Bonds5

About 6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 20825593) has the molecular formula C24H29FN6 and a molecular weight of 420.54 g/mol. Its IUPAC name is 6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID20825593
Molecular FormulaC24H29FN6
Molecular Weight420.54 g/mol
Exact Mass420.24
IUPAC Name6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(N(C)C)nc(N3CCN(c4ccccc4F)CC3)n2)cc1C
InChIInChI=1S/C24H29FN6/c1-17-9-10-19(15-18(17)2)26-22-16-23(29(3)4)28-24(27-22)31-13-11-30(12-14-31)21-8-6-5-7-20(21)25/h5-10,15-16H,11-14H2,1-4H3,(H,26,27,28)
InChIKeyDBMPRWPITAUCMB-UHFFFAOYSA-N
XLogP4.37
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 10203425
4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine-4,6-diamine;4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4,6-diamine
CID 160831465
2-(4-benzylpiperazin-1-yl)-6-N-(4-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 58863852
N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112923719
N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112924034
N-(1,3-benzodioxol-5-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898542
4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine
CID 68560252
N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112923910
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 112920457
N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112923703
6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine
CID 10366817
N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898527

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 20825593) is 6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is Cc1ccc(Nc2cc(N(C)C)nc(N3CCN(c4ccccc4F)CC3)n2)cc1C.
What is the InChIKey of 6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is DBMPRWPITAUCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6/c1-17-9-10-19(15-18(17)2)26-22-16-23(29(3)4)28-24(27-22)31-13-11-30(12-14-31)21-8-6-5-7-20(21)25/h5-10,15-16H,11-14H2,1-4H3,(H,26,27,28).
What are the key properties of 6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 420.54 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 20825593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).