2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

C13H20F3N5 — CID 114564704

IUPAC2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NCC2CCCCN2C)cc(C(F)(F)F)n1
InChIInChI=1S/C13H20F3N5/c1-17-12-19-10(13(14,15)16)7-11(20-12)18-8-9-5-3-4-6-21(9)2/h7,9H,3-6,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyRMSFTHDFKQPJPM-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.43
Rot. Bonds4

About 2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564704) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564704
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NCC2CCCCN2C)cc(C(F)(F)F)n1
InChIInChI=1S/C13H20F3N5/c1-17-12-19-10(13(14,15)16)7-11(20-12)18-8-9-5-3-4-6-21(9)2/h7,9H,3-6,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyRMSFTHDFKQPJPM-UHFFFAOYSA-N
XLogP2.43
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-4-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564539
2-N,4-N-bis(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133334171
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565083
4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564846
2-cyclopropyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80962152
2-N,4-N-bis(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133399797
4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 142876099
6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 106029018
4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563830
6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
CID 106022889
4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 115355065
6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 80947634

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564704) is 2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(NCC2CCCCN2C)cc(C(F)(F)F)n1.
What is the InChIKey of 2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is RMSFTHDFKQPJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c1-17-12-19-10(13(14,15)16)7-11(20-12)18-8-9-5-3-4-6-21(9)2/h7,9H,3-6,8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 303.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).