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

C13H22F3N5 — CID 114565088

IUPAC4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(N(C)CCN(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C13H22F3N5/c1-5-6-17-12-18-10(13(14,15)16)9-11(19-12)21(4)8-7-20(2)3/h9H,5-8H2,1-4H3,(H,17,18,19)
InChIKeyXLIAREYRPOIBBN-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.32
Rot. Bonds7

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

4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114565088) has the molecular formula C13H22F3N5 and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114565088
Molecular FormulaC13H22F3N5
Molecular Weight305.35 g/mol
Exact Mass305.18
IUPAC Name4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(N(C)CCN(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C13H22F3N5/c1-5-6-17-12-18-10(13(14,15)16)9-11(19-12)21(4)8-7-20(2)3/h9H,5-8H2,1-4H3,(H,17,18,19)
InChIKeyXLIAREYRPOIBBN-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

4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565531
1-[methyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564867
2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564013
4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565958
2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564596
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 102998866
4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80935287
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 80816858
4-(2-methylbutan-2-yloxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566168
2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80845861
4-N-(2,2-dimethylcyclopropyl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564776
N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563224

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114565088) is 4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCCNc1nc(N(C)CCN(C)C)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is XLIAREYRPOIBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N5/c1-5-6-17-12-18-10(13(14,15)16)9-11(19-12)21(4)8-7-20(2)3/h9H,5-8H2,1-4H3,(H,17,18,19).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-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-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114565088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).