4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

C9H13F3N4 — CID 106770641

IUPAC4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCCN(C)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N4/c1-3-4-16(2)7-5-6(13)14-8(15-7)9(10,11)12/h5H,3-4H2,1-2H3,(H2,13,14,15)
InChIKeyGDNHETOPXPQHCN-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.92
Rot. Bonds3

About 4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106770641) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106770641
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCCN(C)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N4/c1-3-4-16(2)7-5-6(13)14-8(15-7)9(10,11)12/h5H,3-4H2,1-2H3,(H2,13,14,15)
InChIKeyGDNHETOPXPQHCN-UHFFFAOYSA-N
XLogP1.92
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769909
4-N-methyl-4-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772464
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772544
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771038
4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771413
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 106770720
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771349
4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771529
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771484
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772794
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773395
2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967560

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106770641) is 4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCCN(C)c1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is GDNHETOPXPQHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-3-4-16(2)7-5-6(13)14-8(15-7)9(10,11)12/h5H,3-4H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 234.22 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106770641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).