2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C11H17F3N4 — CID 114563840

IUPAC2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCC(CC)Nc1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C11H17F3N4/c1-4-7(5-2)16-9-6-8(11(12,13)14)17-10(15-3)18-9/h6-7H,4-5H2,1-3H3,(H2,15,16,17,18)
InChIKeyUFQMKVJVLVFFQZ-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.14
Rot. Bonds5

About 2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114563840) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114563840
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCC(CC)Nc1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C11H17F3N4/c1-4-7(5-2)16-9-6-8(11(12,13)14)17-10(15-3)18-9/h6-7H,4-5H2,1-3H3,(H2,15,16,17,18)
InChIKeyUFQMKVJVLVFFQZ-UHFFFAOYSA-N
XLogP3.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565904
2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562202
4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564719
4-N-[1-(diethylamino)propan-2-yl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564798
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 114565912
2-methyl-3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565854
4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565160
3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 114565499
2-N-methyl-6-(trifluoromethyl)-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 114565666
4-N-(3,3-dimethylbutyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565969
2-methyl-1-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114565294
2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565215

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114563840) is 2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCC(CC)Nc1cc(C(F)(F)F)nc(NC)n1.
What is the InChIKey of 2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is UFQMKVJVLVFFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-4-7(5-2)16-9-6-8(11(12,13)14)17-10(15-3)18-9/h6-7H,4-5H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 262.28 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114563840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).