2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C12H18F3N5O — CID 114563917

IUPAC2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NCCN2CCOCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5O/c1-16-11-18-9(12(13,14)15)8-10(19-11)17-2-3-20-4-6-21-7-5-20/h8H,2-7H2,1H3,(H2,16,17,18,19)
InChIKeyCIMPGPOUPZOHEV-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.28
Rot. Bonds5

About 2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114563917) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114563917
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NCCN2CCOCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5O/c1-16-11-18-9(12(13,14)15)8-10(19-11)17-2-3-20-4-6-21-7-5-20/h8H,2-7H2,1H3,(H2,16,17,18,19)
InChIKeyCIMPGPOUPZOHEV-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-Isopropyl-6-methyl-4-pyrimidinyl)morpholine
CID 3306908
4,4'-(6-Methylpyrimidine-2,4-diyl)dimorpholine
CID 239982
2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine
CID 4778269
3-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-1,1-diethylurea
CID 44409731
4-(4-Methyl-6-piperidin-1-ylpyrimidin-2-yl)morpholine
CID 697254
4,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 1646798
1-Tert-butyl-3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)urea
CID 44409890
1-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3-neopentylurea
CID 44409891
N,6-dimethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 697248
4-(2-Isopropyl-6-methyl-4-pyrimidinyl)-2,6-dimethylmorpholine
CID 4317583
4-[4-Methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]morpholine
CID 647957
N-butyl-6-methyl-2-(4-morpholinyl)-4-pyrimidinamine
CID 1880359

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114563917) is 2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(NCCN2CCOCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is CIMPGPOUPZOHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-16-11-18-9(12(13,14)15)8-10(19-11)17-2-3-20-4-6-21-7-5-20/h8H,2-7H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 305.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114563917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).