4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C13H22F3N5 — CID 103192516

IUPAC4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN(c1cc(C(F)(F)F)nc(NC)n1)C(C)CN(C)C
InChIInChI=1S/C13H22F3N5/c1-6-21(9(2)8-20(4)5)11-7-10(13(14,15)16)18-12(17-3)19-11/h7,9H,6,8H2,1-5H3,(H,17,18,19)
InChIKeyLLAXPCPVUVVUQY-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.31
Rot. Bonds6

About 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 103192516) has the molecular formula C13H22F3N5 and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID103192516
Molecular FormulaC13H22F3N5
Molecular Weight305.35 g/mol
Exact Mass305.18
IUPAC Name4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN(c1cc(C(F)(F)F)nc(NC)n1)C(C)CN(C)C
InChIInChI=1S/C13H22F3N5/c1-6-21(9(2)8-20(4)5)11-7-10(13(14,15)16)18-12(17-3)19-11/h7,9H,6,8H2,1-5H3,(H,17,18,19)
InChIKeyLLAXPCPVUVVUQY-UHFFFAOYSA-N
XLogP2.31
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 102998866
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773395
3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-propan-2-ylamino]propanenitrile
CID 114564612
N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106918664
4-N-[1-(diethylamino)propan-2-yl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564798
4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564325
1-[methyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564867
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 103192486
2-N,4-N-dimethyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564203
N-methyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 114564053
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 114567175
2-N-ethyl-1-N,1-N-dimethyl-2-N-[4-(methylaminomethyl)-6-propan-2-yl-2-pyridinyl]propane-1,2-diamine
CID 103191525

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 103192516) is 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCN(c1cc(C(F)(F)F)nc(NC)n1)C(C)CN(C)C.
What is the InChIKey of 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is LLAXPCPVUVVUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N5/c1-6-21(9(2)8-20(4)5)11-7-10(13(14,15)16)18-12(17-3)19-11/h7,9H,6,8H2,1-5H3,(H,17,18,19).
What are the key properties of 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 305.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 103192516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).