6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C11H15F3N4O — CID 106771800

IUPAC6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCC2CCOC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-15-8-4-9(16-5-7-2-3-19-6-7)18-10(17-8)11(12,13)14/h4,7H,2-3,5-6H2,1H3,(H2,15,16,17,18)
InChIKeyBTIXFKBVVVKUNI-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.99
Rot. Bonds4

About 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771800) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771800
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCC2CCOC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-15-8-4-9(16-5-7-2-3-19-6-7)18-10(17-8)11(12,13)14/h4,7H,2-3,5-6H2,1H3,(H2,15,16,17,18)
InChIKeyBTIXFKBVVVKUNI-UHFFFAOYSA-N
XLogP1.99
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772042
4-N-(1,4-dioxan-2-ylmethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770987
6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80955245
2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80958677
[2-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 106772357
N-(cyclopentylmethyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775333
2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 80954111
6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 80936100
4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80825653
N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774573
2-N-methyl-6-N-(thian-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719318
6-chloro-N-(oxolan-3-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938193

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771800) is 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CNc1cc(NCC2CCOC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is BTIXFKBVVVKUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-15-8-4-9(16-5-7-2-3-19-6-7)18-10(17-8)11(12,13)14/h4,7H,2-3,5-6H2,1H3,(H2,15,16,17,18).
What are the key properties of 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 276.26 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).