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

C12H17F3N4 — CID 114563838

IUPAC4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(NC2CCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4/c1-2-16-11-18-9(12(13,14)15)7-10(19-11)17-8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H2,16,17,18,19)
InChIKeyRCIPEIWSOLKICF-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.28
Rot. Bonds4

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

4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114563838) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114563838
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(NC2CCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4/c1-2-16-11-18-9(12(13,14)15)7-10(19-11)17-8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H2,16,17,18,19)
InChIKeyRCIPEIWSOLKICF-UHFFFAOYSA-N
XLogP3.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 114564872
4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563891
5-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-2-one
CID 114565081
4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563830
4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564199
2-N-methyl-4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564031
4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565160
2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563709
2-N-methyl-4-N-(thian-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565933
2-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563569
2-N,4-N-bis(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133334171
2-N-methyl-4-N-(3-methylcyclobutyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565796

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114563838) is 4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(NC2CCCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is RCIPEIWSOLKICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-2-16-11-18-9(12(13,14)15)7-10(19-11)17-8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 274.29 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114563838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).