2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine

C14H21F3N4 — CID 106219432

IUPAC2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
SMILESCCCNc1nc(CC)nc(NC2(C(F)(F)F)CC2)c1C
InChIInChI=1S/C14H21F3N4/c1-4-8-18-11-9(3)12(20-10(5-2)19-11)21-13(6-7-13)14(15,16)17/h4-8H2,1-3H3,(H2,18,19,20,21)
InChIKeyKTOJIELBSCCRNI-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.68
Rot. Bonds6

About 2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine

2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine (PubChem CID 106219432) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
PubChem CID106219432
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
SMILESCCCNc1nc(CC)nc(NC2(C(F)(F)F)CC2)c1C
InChIInChI=1S/C14H21F3N4/c1-4-8-18-11-9(3)12(20-10(5-2)19-11)21-13(6-7-13)14(15,16)17/h4-8H2,1-3H3,(H2,18,19,20,21)
InChIKeyKTOJIELBSCCRNI-UHFFFAOYSA-N
XLogP3.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
3,5-difluoro-2-N-propyl-6-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine
CID 106219622
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-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80988030
4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 113304250
2-ethyl-5-methyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332058
4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994212
4-N-[2-(dimethylamino)propyl]-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80983119
4-N-butan-2-yl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80980971
2-ethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80983333
2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80989654

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine (CID 106219432) is 2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine is CCCNc1nc(CC)nc(NC2(C(F)(F)F)CC2)c1C.
What is the InChIKey of 2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
The InChIKey is KTOJIELBSCCRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-4-8-18-11-9(3)12(20-10(5-2)19-11)21-13(6-7-13)14(15,16)17/h4-8H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine has a molecular weight of 302.34 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106219432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).