4-N-(4-methylpiperazin-1-yl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine

C16H20F3N7O — CID 19144115

IUPAC4-N-(4-methylpiperazin-1-yl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
SMILESCN1CCN(Nc2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2N)CC1
InChIInChI=1S/C16H20F3N7O/c1-25-6-8-26(9-7-25)24-15-13(20)14(21-10-22-15)23-11-2-4-12(5-3-11)27-16(17,18)19/h2-5,10H,6-9,20H2,1H3,(H2,21,22,23,24)
InChIKeyDDSQNGIULDMWBB-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.28
Rot. Bonds5

About 4-N-(4-methylpiperazin-1-yl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine

4-N-(4-methylpiperazin-1-yl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine (PubChem CID 19144115) has the molecular formula C16H20F3N7O and a molecular weight of 383.38 g/mol. Its IUPAC name is 4-N-(4-methylpiperazin-1-yl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(4-methylpiperazin-1-yl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
PubChem CID19144115
Molecular FormulaC16H20F3N7O
Molecular Weight383.38 g/mol
Exact Mass383.17
IUPAC Name4-N-(4-methylpiperazin-1-yl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
SMILESCN1CCN(Nc2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2N)CC1
InChIInChI=1S/C16H20F3N7O/c1-25-6-8-26(9-7-25)24-15-13(20)14(21-10-22-15)23-11-2-4-12(5-3-11)27-16(17,18)19/h2-5,10H,6-9,20H2,1H3,(H2,21,22,23,24)
InChIKeyDDSQNGIULDMWBB-UHFFFAOYSA-N
XLogP2.28
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-N-(4-methylpiperazin-1-yl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

6-N-(4-methoxyphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19149157
4-N,4-N-dimethyl-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19137031
ethyl 4-[[5-amino-6-[(4-methylpiperazin-1-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 19144025
6-N-(4-butylphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 22540135
4-N-(2-methoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19148195
6-(4-propan-2-ylphenoxy)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 19138835
4-N-(2-ethoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19153756
6-(4-methylphenyl)sulfanyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 19149943
3-methyl-N-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7659052
6-N-(2-bromophenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
CID 19144039
6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
CID 19143129
6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
CID 19144132

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylpiperazin-1-yl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(4-methylpiperazin-1-yl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine (CID 19144115) is 4-N-(4-methylpiperazin-1-yl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(4-methylpiperazin-1-yl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(4-methylpiperazin-1-yl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine is CN1CCN(Nc2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2N)CC1.
What is the InChIKey of 4-N-(4-methylpiperazin-1-yl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine?
The InChIKey is DDSQNGIULDMWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N7O/c1-25-6-8-26(9-7-25)24-15-13(20)14(21-10-22-15)23-11-2-4-12(5-3-11)27-16(17,18)19/h2-5,10H,6-9,20H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(4-methylpiperazin-1-yl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine?
4-N-(4-methylpiperazin-1-yl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine has a molecular weight of 383.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylpiperazin-1-yl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19144115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).