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

C13H22F3N5 — CID 106771304

IUPAC4-N-[4-(dimethylamino)butan-2-yl]-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)CCN(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C13H22F3N5/c1-5-17-10-8-11(18-9(2)6-7-21(3)4)20-12(19-10)13(14,15)16/h8-9H,5-7H2,1-4H3,(H2,17,18,19,20)
InChIKeyANLDCLIIJRTGNX-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.68
Rot. Bonds7

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

4-N-[4-(dimethylamino)butan-2-yl]-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771304) has the molecular formula C13H22F3N5 and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-N-[4-(dimethylamino)butan-2-yl]-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[4-(dimethylamino)butan-2-yl]-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771304
Molecular FormulaC13H22F3N5
Molecular Weight305.35 g/mol
Exact Mass305.18
IUPAC Name4-N-[4-(dimethylamino)butan-2-yl]-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)CCN(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C13H22F3N5/c1-5-17-10-8-11(18-9(2)6-7-21(3)4)20-12(19-10)13(14,15)16/h8-9H,5-7H2,1-4H3,(H2,17,18,19,20)
InChIKeyANLDCLIIJRTGNX-UHFFFAOYSA-N
XLogP2.68
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 80963806
4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770408
3-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylpentan-1-ol
CID 106358061
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]butan-2-ol
CID 106773156
4-N-(dicyclopropylmethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771247
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106772532
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
6-N-ethyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770291
4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine
CID 80807193
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433
6-N-ethyl-4-N-methyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770662
2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855694

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(dimethylamino)butan-2-yl]-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[4-(dimethylamino)butan-2-yl]-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771304) is 4-N-[4-(dimethylamino)butan-2-yl]-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[4-(dimethylamino)butan-2-yl]-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[4-(dimethylamino)butan-2-yl]-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCNc1cc(NC(C)CCN(C)C)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-[4-(dimethylamino)butan-2-yl]-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is ANLDCLIIJRTGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N5/c1-5-17-10-8-11(18-9(2)6-7-21(3)4)20-12(19-10)13(14,15)16/h8-9H,5-7H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-[4-(dimethylamino)butan-2-yl]-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-[4-(dimethylamino)butan-2-yl]-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 305.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(dimethylamino)butan-2-yl]-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).