4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C12H18F3N5O — CID 114565646

IUPAC4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(NN2CCOCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5O/c1-2-3-16-11-17-9(12(13,14)15)8-10(18-11)19-20-4-6-21-7-5-20/h8H,2-7H2,1H3,(H2,16,17,18,19)
InChIKeyQJNYTUZLPTZASX-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.98
Rot. Bonds5

About 4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114565646) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114565646
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(NN2CCOCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5O/c1-2-3-16-11-17-9(12(13,14)15)8-10(18-11)19-20-4-6-21-7-5-20/h8H,2-7H2,1H3,(H2,16,17,18,19)
InChIKeyQJNYTUZLPTZASX-UHFFFAOYSA-N
XLogP1.98
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564199
2-tert-butyl-4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine
CID 83034209
2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563917
4-N-(2,2-dimethylcyclopropyl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564776
4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine
CID 83027310
6-methyl-4-N-piperidin-1-yl-2-N-propylpyrimidine-2,4-diamine
CID 83027527
3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114565961
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565668
4-N-(4-methylsulfanylbutyl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565870
4-(2,2-dimethylpyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565002
2-N-methyl-6-N-morpholin-4-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719094
4-N-(3-methylsulfinylpropyl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565866

Frequently Asked Questions

What is the IUPAC name of 4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114565646) is 4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCCNc1nc(NN2CCOCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is QJNYTUZLPTZASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-2-3-16-11-17-9(12(13,14)15)8-10(18-11)19-20-4-6-21-7-5-20/h8H,2-7H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 305.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114565646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).