4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C13H22F3N5 — CID 102998866

IUPAC4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN(CCCN(C)C)c1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C13H22F3N5/c1-5-21(8-6-7-20(3)4)11-9-10(13(14,15)16)18-12(17-2)19-11/h9H,5-8H2,1-4H3,(H,17,18,19)
InChIKeyPSKPLEZKCUOOPG-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.32
Rot. Bonds7

About 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 102998866) has the molecular formula C13H22F3N5 and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID102998866
Molecular FormulaC13H22F3N5
Molecular Weight305.35 g/mol
Exact Mass305.18
IUPAC Name4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN(CCCN(C)C)c1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C13H22F3N5/c1-5-21(8-6-7-20(3)4)11-9-10(13(14,15)16)18-12(17-2)19-11/h9H,5-8H2,1-4H3,(H,17,18,19)
InChIKeyPSKPLEZKCUOOPG-UHFFFAOYSA-N
XLogP2.32
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564384
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 103192516
2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564255
4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564325
4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564361
2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114565799
4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565088
1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 114567378
N-methyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 114564053
4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107403023
4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563903
2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564013

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 102998866) is 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCN(CCCN(C)C)c1cc(C(F)(F)F)nc(NC)n1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is PSKPLEZKCUOOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N5/c1-5-21(8-6-7-20(3)4)11-9-10(13(14,15)16)18-12(17-2)19-11/h9H,5-8H2,1-4H3,(H,17,18,19).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 305.35 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 102998866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).