2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

C12H18F3N3O — CID 80988030

IUPAC2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(OCC(F)(F)F)c1C
InChIInChI=1S/C12H18F3N3O/c1-4-6-16-10-8(3)11(18-9(5-2)17-10)19-7-12(13,14)15/h4-7H2,1-3H3,(H,16,17,18)
InChIKeyVQPMESZSJTXVBB-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.11
Rot. Bonds6

About 2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (PubChem CID 80988030) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
PubChem CID80988030
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(OCC(F)(F)F)c1C
InChIInChI=1S/C12H18F3N3O/c1-4-6-16-10-8(3)11(18-9(5-2)17-10)19-7-12(13,14)15/h4-7H2,1-3H3,(H,16,17,18)
InChIKeyVQPMESZSJTXVBB-UHFFFAOYSA-N
XLogP3.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80989654
N,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
CID 80989859
2-ethyl-5-methyl-6-propan-2-yloxy-N-propylpyrimidin-4-amine
CID 80989070
2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
CID 106219432
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80989328
2-ethyl-5-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80984168
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179265
2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine
CID 80989749
4-N,2-diethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80983476
[2-ethyl-5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine
CID 81000943

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (CID 80988030) is 2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is CCCNc1nc(CC)nc(OCC(F)(F)F)c1C.
What is the InChIKey of 2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The InChIKey is VQPMESZSJTXVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-4-6-16-10-8(3)11(18-9(5-2)17-10)19-7-12(13,14)15/h4-7H2,1-3H3,(H,16,17,18).
What are the key properties of 2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine has a molecular weight of 277.29 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80988030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).