N-methyl-N'-[[4-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methyl]methanediamine

C9H13F3N4 — CID 163935804

IUPACN-methyl-N'-[[4-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methyl]methanediamine
SMILESCNCNCc1c(C)ncnc1C(F)(F)F
InChIInChI=1S/C9H13F3N4/c1-6-7(3-14-4-13-2)8(9(10,11)12)16-5-15-6/h5,13-14H,3-4H2,1-2H3
InChIKeyRMRZVZQYZPNECV-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.07
Rot. Bonds4

About N-methyl-N'-[[4-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methyl]methanediamine

N-methyl-N'-[[4-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methyl]methanediamine (PubChem CID 163935804) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is N-methyl-N'-[[4-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methyl]methanediamine.

Molecular Properties

Compound NameN-methyl-N'-[[4-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methyl]methanediamine
PubChem CID163935804
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC NameN-methyl-N'-[[4-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methyl]methanediamine
SMILESCNCNCc1c(C)ncnc1C(F)(F)F
InChIInChI=1S/C9H13F3N4/c1-6-7(3-14-4-13-2)8(9(10,11)12)16-5-15-6/h5,13-14H,3-4H2,1-2H3
InChIKeyRMRZVZQYZPNECV-UHFFFAOYSA-N
XLogP1.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4,5,6-Trimethylpyrimidin-2-amine
CID 12250862
4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine
CID 135271011
4,5,6-Trimethylpyrimidine
CID 18736669
5-Ethyl-4,6-dimethylpyrimidine
CID 18735156
2-[(E)-1-(2,4-dimethylpyrimidin-5-yl)ethylideneamino]guanidine
CID 13792518
5-(1-Aminoethyl)-4-methylpyrimidin-2-amine
CID 43810924
(Trimethylpyrimidin-5-yl)methanamine dihydrochloride
CID 75481807
Pyrimidine, 5-cyano-4,6-dimethyl-2-methylamino-
CID 13805354
Pyrimidine, 4,6-dimethyl-2-methylamino-5-(prop-1-ynyl)-
CID 129930567
Pyrimidine, 4,6-dimethyl-2-methylamino-5-(prop-2-ynyl)-
CID 129930575
Pyrimidine, 5-allyl-4,6-dimethyl-2-methylamino-
CID 171383843
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 164637542

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[[4-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methyl]methanediamine?
The IUPAC name of N-methyl-N'-[[4-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methyl]methanediamine (CID 163935804) is N-methyl-N'-[[4-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methyl]methanediamine.
What is the SMILES notation for N-methyl-N'-[[4-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methyl]methanediamine?
The canonical SMILES for N-methyl-N'-[[4-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methyl]methanediamine is CNCNCc1c(C)ncnc1C(F)(F)F.
What is the InChIKey of N-methyl-N'-[[4-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methyl]methanediamine?
The InChIKey is RMRZVZQYZPNECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-6-7(3-14-4-13-2)8(9(10,11)12)16-5-15-6/h5,13-14H,3-4H2,1-2H3.
What are the key properties of N-methyl-N'-[[4-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methyl]methanediamine?
N-methyl-N'-[[4-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methyl]methanediamine has a molecular weight of 234.22 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[[4-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methyl]methanediamine is sourced from PubChem (CID 163935804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).