4-N-methyl-7-[2-piperazin-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine

C19H20F3N7 — CID 141163361

IUPAC4-N-methyl-7-[2-piperazin-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3c(N4CCNCC4)cccc3C(F)(F)F)ccc12
InChIInChI=1S/C19H20F3N7/c1-24-16-11-5-6-13(26-17(11)28-18(23)27-16)15-12(19(20,21)22)3-2-4-14(15)29-9-7-25-8-10-29/h2-6,25H,7-10H2,1H3,(H3,23,24,26,27,28)
InChIKeyWXWMIGLISBHOPN-UHFFFAOYSA-N
MW403.41 g/mol
LogP2.74
Rot. Bonds3

About 4-N-methyl-7-[2-piperazin-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine

4-N-methyl-7-[2-piperazin-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 141163361) has the molecular formula C19H20F3N7 and a molecular weight of 403.41 g/mol. Its IUPAC name is 4-N-methyl-7-[2-piperazin-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-7-[2-piperazin-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID141163361
Molecular FormulaC19H20F3N7
Molecular Weight403.41 g/mol
Exact Mass403.17
IUPAC Name4-N-methyl-7-[2-piperazin-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3c(N4CCNCC4)cccc3C(F)(F)F)ccc12
InChIInChI=1S/C19H20F3N7/c1-24-16-11-5-6-13(26-17(11)28-18(23)27-16)15-12(19(20,21)22)3-2-4-14(15)29-9-7-25-8-10-29/h2-6,25H,7-10H2,1H3,(H3,23,24,26,27,28)
InChIKeyWXWMIGLISBHOPN-UHFFFAOYSA-N
XLogP2.74
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-[2-(4-cyclohexylpiperazin-1-yl)-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 15982190
4-N-methyl-7-[2-pyrrol-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 141163355
7-[2-(4-cyclohexylpiperazin-1-yl)-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 15982189
[4-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,3-dihydrofuran-5-yl)methanone
CID 71221436
2-[4-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid
CID 87566537
[1-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate
CID 87566213
7-(2-fluoro-6-thiomorpholin-4-ylphenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 15982058
7-[2-(4-chlorophenoxy)-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 15983352
7-[2-(3-fluorophenoxy)-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 15983349
7-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 87565919
N,2-dimethyl-7-[2-propoxy-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 143395562
4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline
CID 121236577

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-7-[2-piperazin-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-7-[2-piperazin-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 141163361) is 4-N-methyl-7-[2-piperazin-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-7-[2-piperazin-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-7-[2-piperazin-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine is CNc1nc(N)nc2nc(-c3c(N4CCNCC4)cccc3C(F)(F)F)ccc12.
What is the InChIKey of 4-N-methyl-7-[2-piperazin-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is WXWMIGLISBHOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7/c1-24-16-11-5-6-13(26-17(11)28-18(23)27-16)15-12(19(20,21)22)3-2-4-14(15)29-9-7-25-8-10-29/h2-6,25H,7-10H2,1H3,(H3,23,24,26,27,28).
What are the key properties of 4-N-methyl-7-[2-piperazin-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
4-N-methyl-7-[2-piperazin-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 403.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-7-[2-piperazin-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 141163361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).