4-N,6-dimethyl-2-N-[3-[4-(methylaminomethyl)pyrazol-1-yl]-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C18H20F3N7 — CID 146339167

IUPAC4-N,6-dimethyl-2-N-[3-[4-(methylaminomethyl)pyrazol-1-yl]-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCNCc1cnn(-c2cc(Nc3nc(C)cc(NC)n3)ccc2C(F)(F)F)c1
InChIInChI=1S/C18H20F3N7/c1-11-6-16(23-3)27-17(25-11)26-13-4-5-14(18(19,20)21)15(7-13)28-10-12(8-22-2)9-24-28/h4-7,9-10,22H,8H2,1-3H3,(H2,23,25,26,27)
InChIKeyUNUAYTPLMRPKBL-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.49
Rot. Bonds6

About 4-N,6-dimethyl-2-N-[3-[4-(methylaminomethyl)pyrazol-1-yl]-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

4-N,6-dimethyl-2-N-[3-[4-(methylaminomethyl)pyrazol-1-yl]-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 146339167) has the molecular formula C18H20F3N7 and a molecular weight of 391.40 g/mol. Its IUPAC name is 4-N,6-dimethyl-2-N-[3-[4-(methylaminomethyl)pyrazol-1-yl]-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,6-dimethyl-2-N-[3-[4-(methylaminomethyl)pyrazol-1-yl]-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID146339167
Molecular FormulaC18H20F3N7
Molecular Weight391.40 g/mol
Exact Mass391.17
IUPAC Name4-N,6-dimethyl-2-N-[3-[4-(methylaminomethyl)pyrazol-1-yl]-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCNCc1cnn(-c2cc(Nc3nc(C)cc(NC)n3)ccc2C(F)(F)F)c1
InChIInChI=1S/C18H20F3N7/c1-11-6-16(23-3)27-17(25-11)26-13-4-5-14(18(19,20)21)15(7-13)28-10-12(8-22-2)9-24-28/h4-7,9-10,22H,8H2,1-3H3,(H2,23,25,26,27)
InChIKeyUNUAYTPLMRPKBL-UHFFFAOYSA-N
XLogP3.49
TPSA79.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[3-[4-(aminomethyl)pyrazol-1-yl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146315861
3-chloro-2-[4-(methylaminomethyl)pyrazol-1-yl]-6-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzonitrile
CID 146339174
2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 153405928
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906981
2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80760167
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112926975
2-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 162651371
6-methyl-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 112806512
N-[[2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-3-yl]methyl]acetamide
CID 146338976
4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80754824
2-chloro-N-[2-(methylamino)ethyl]-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzamide
CID 146397871
6-methyl-2-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112919664

Frequently Asked Questions

What is the IUPAC name of 4-N,6-dimethyl-2-N-[3-[4-(methylaminomethyl)pyrazol-1-yl]-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,6-dimethyl-2-N-[3-[4-(methylaminomethyl)pyrazol-1-yl]-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 146339167) is 4-N,6-dimethyl-2-N-[3-[4-(methylaminomethyl)pyrazol-1-yl]-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,6-dimethyl-2-N-[3-[4-(methylaminomethyl)pyrazol-1-yl]-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,6-dimethyl-2-N-[3-[4-(methylaminomethyl)pyrazol-1-yl]-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CNCc1cnn(-c2cc(Nc3nc(C)cc(NC)n3)ccc2C(F)(F)F)c1.
What is the InChIKey of 4-N,6-dimethyl-2-N-[3-[4-(methylaminomethyl)pyrazol-1-yl]-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is UNUAYTPLMRPKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N7/c1-11-6-16(23-3)27-17(25-11)26-13-4-5-14(18(19,20)21)15(7-13)28-10-12(8-22-2)9-24-28/h4-7,9-10,22H,8H2,1-3H3,(H2,23,25,26,27).
What are the key properties of 4-N,6-dimethyl-2-N-[3-[4-(methylaminomethyl)pyrazol-1-yl]-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
4-N,6-dimethyl-2-N-[3-[4-(methylaminomethyl)pyrazol-1-yl]-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 391.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-dimethyl-2-N-[3-[4-(methylaminomethyl)pyrazol-1-yl]-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 146339167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).