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

C13H19F3N4O — CID 106771675

IUPAC6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCCC2OC)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-3-17-10-7-11(20-12(19-10)13(14,15)16)18-8-5-4-6-9(8)21-2/h7-9H,3-6H2,1-2H3,(H2,17,18,19,20)
InChIKeyXFDVPQHHYWNROP-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.91
Rot. Bonds5

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

6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771675) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771675
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCCC2OC)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-3-17-10-7-11(20-12(19-10)13(14,15)16)18-8-5-4-6-9(8)21-2/h7-9H,3-6H2,1-2H3,(H2,17,18,19,20)
InChIKeyXFDVPQHHYWNROP-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80817326
6-cyclobutyloxy-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774446
4-N-(2-methoxycyclopentyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80817483
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 106770397
4-N-(2-cyclopropylethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772336
4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771739
2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine
CID 80958191
6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772042
2-N-ethyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717341
4-N-(dicyclopropylmethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771247
2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol
CID 102718306
4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770460

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771675) is 6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCNc1cc(NC2CCCC2OC)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is XFDVPQHHYWNROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-3-17-10-7-11(20-12(19-10)13(14,15)16)18-8-5-4-6-9(8)21-2/h7-9H,3-6H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 304.32 g/mol, XLogP of 2.91, 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-(2-methoxycyclopentyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).