6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C13H19F3N4O — CID 106772042

IUPAC6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2CCOCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-2-17-10-7-11(20-12(19-10)13(14,15)16)18-8-9-3-5-21-6-4-9/h7,9H,2-6,8H2,1H3,(H2,17,18,19,20)
InChIKeyWZPCAFADEICHJV-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.77
Rot. Bonds5

About 6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106772042) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106772042
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2CCOCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-2-17-10-7-11(20-12(19-10)13(14,15)16)18-8-9-3-5-21-6-4-9/h7,9H,2-6,8H2,1H3,(H2,17,18,19,20)
InChIKeyWZPCAFADEICHJV-UHFFFAOYSA-N
XLogP2.77
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771800
4-N-(2-cyclopropylethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772336
N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774573
2-N-ethyl-6-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845554
N-(cyclopentylmethyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775333
4-N-(dicyclopropylmethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771247
4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772085
6-cyclobutyloxy-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774446
2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80958677
N-(oxan-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304954
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 106770397

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106772042) is 6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCNc1cc(NCC2CCOCC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is WZPCAFADEICHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-17-10-7-11(20-12(19-10)13(14,15)16)18-8-9-3-5-21-6-4-9/h7,9H,2-6,8H2,1H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 304.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106772042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).