4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine

C20H19ClF3N7 — CID 19138687

IUPAC4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESNc1c(Nc2ncc(C(F)(F)F)cc2Cl)ncnc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H19ClF3N7/c21-15-10-13(20(22,23)24)11-26-17(15)29-18-16(25)19(28-12-27-18)31-8-6-30(7-9-31)14-4-2-1-3-5-14/h1-5,10-12H,6-9,25H2,(H,26,27,28,29)
InChIKeyBDAXZSOYOKPSTK-UHFFFAOYSA-N
MW449.87 g/mol
LogP4.20
Rot. Bonds4

About 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine

4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine (PubChem CID 19138687) has the molecular formula C20H19ClF3N7 and a molecular weight of 449.87 g/mol. Its IUPAC name is 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
PubChem CID19138687
Molecular FormulaC20H19ClF3N7
Molecular Weight449.87 g/mol
Exact Mass449.13
IUPAC Name4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESNc1c(Nc2ncc(C(F)(F)F)cc2Cl)ncnc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H19ClF3N7/c21-15-10-13(20(22,23)24)11-26-17(15)29-18-16(25)19(28-12-27-18)31-8-6-30(7-9-31)14-4-2-1-3-5-14/h1-5,10-12H,6-9,25H2,(H,26,27,28,29)
InChIKeyBDAXZSOYOKPSTK-UHFFFAOYSA-N
XLogP4.20
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.87
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-benzylpiperazin-1-yl)-4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine
CID 19139389
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 19137604
6-(4-benzylpiperazin-1-yl)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitropyrimidin-4-amine
CID 23491326
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 19154412
6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 19139170
6-N-(3-bromophenyl)-4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5,6-triamine
CID 19153003
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22541156
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
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143265
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545293
6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
CID 19139127

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine (CID 19138687) is 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine is Nc1c(Nc2ncc(C(F)(F)F)cc2Cl)ncnc1N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is BDAXZSOYOKPSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N7/c21-15-10-13(20(22,23)24)11-26-17(15)29-18-16(25)19(28-12-27-18)31-8-6-30(7-9-31)14-4-2-1-3-5-14/h1-5,10-12H,6-9,25H2,(H,26,27,28,29).
What are the key properties of 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine?
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 449.87 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19138687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).