4-N-ethyl-2-N-[3-fluoro-2-methoxy-4-(morpholin-4-ylmethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

C19H23F4N5O2 — CID 122583452

IUPAC4-N-ethyl-2-N-[3-fluoro-2-methoxy-4-(morpholin-4-ylmethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2ccc(CN3CCOCC3)c(F)c2OC)ncc1C(F)(F)F
InChIInChI=1S/C19H23F4N5O2/c1-3-24-17-13(19(21,22)23)10-25-18(27-17)26-14-5-4-12(15(20)16(14)29-2)11-28-6-8-30-9-7-28/h4-5,10H,3,6-9,11H2,1-2H3,(H2,24,25,26,27)
InChIKeyGHJKWYZQMFXANY-UHFFFAOYSA-N
MW429.42 g/mol
LogP3.65
Rot. Bonds7

About 4-N-ethyl-2-N-[3-fluoro-2-methoxy-4-(morpholin-4-ylmethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-ethyl-2-N-[3-fluoro-2-methoxy-4-(morpholin-4-ylmethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 122583452) has the molecular formula C19H23F4N5O2 and a molecular weight of 429.42 g/mol. Its IUPAC name is 4-N-ethyl-2-N-[3-fluoro-2-methoxy-4-(morpholin-4-ylmethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-[3-fluoro-2-methoxy-4-(morpholin-4-ylmethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID122583452
Molecular FormulaC19H23F4N5O2
Molecular Weight429.42 g/mol
Exact Mass429.18
IUPAC Name4-N-ethyl-2-N-[3-fluoro-2-methoxy-4-(morpholin-4-ylmethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2ccc(CN3CCOCC3)c(F)c2OC)ncc1C(F)(F)F
InChIInChI=1S/C19H23F4N5O2/c1-3-24-17-13(19(21,22)23)10-25-18(27-17)26-14-5-4-12(15(20)16(14)29-2)11-28-6-8-30-9-7-28/h4-5,10H,3,6-9,11H2,1-2H3,(H2,24,25,26,27)
InChIKeyGHJKWYZQMFXANY-UHFFFAOYSA-N
XLogP3.65
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-ethyl-2-N-[3-fluoro-2-methoxy-4-(morpholin-4-ylmethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(3,4-dichlorophenyl)-4-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 21080474
[5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1,4-benzodioxin-8-yl]-pyrrolidin-1-ylmethanone
CID 71584771
[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-methylbenzenesulfonic acid
CID 78357832
N-ethyl-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 71584743
4-[3-[[2-[4-(3,6-dihydro-2H-pyran-4-yl)-2-ethylanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-1,4-oxazepan-5-one
CID 177204365
4-N-methyl-2-N-[3-methyl-1-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281596
N-[2-[[2-[3-(morpholin-4-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 21081216
4-[3-[[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-ethylanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-1,4-oxazepan-5-one
CID 155282927
2-N-[2-(2-fluoroethoxy)-4-morpholin-4-ylphenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141339238
4-N-cyclopropyl-2-N-[2-methanimidoyl-3-(2-morpholin-4-ylethylamino)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 174321388
5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-6-methoxy-2-(oxetan-3-yl)-3H-isoindol-1-one
CID 71577905
4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-3-methoxy-5-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]benzaldehyde
CID 89499748

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-[3-fluoro-2-methoxy-4-(morpholin-4-ylmethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-[3-fluoro-2-methoxy-4-(morpholin-4-ylmethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 122583452) is 4-N-ethyl-2-N-[3-fluoro-2-methoxy-4-(morpholin-4-ylmethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-[3-fluoro-2-methoxy-4-(morpholin-4-ylmethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-[3-fluoro-2-methoxy-4-(morpholin-4-ylmethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(Nc2ccc(CN3CCOCC3)c(F)c2OC)ncc1C(F)(F)F.
What is the InChIKey of 4-N-ethyl-2-N-[3-fluoro-2-methoxy-4-(morpholin-4-ylmethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is GHJKWYZQMFXANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F4N5O2/c1-3-24-17-13(19(21,22)23)10-25-18(27-17)26-14-5-4-12(15(20)16(14)29-2)11-28-6-8-30-9-7-28/h4-5,10H,3,6-9,11H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 4-N-ethyl-2-N-[3-fluoro-2-methoxy-4-(morpholin-4-ylmethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-ethyl-2-N-[3-fluoro-2-methoxy-4-(morpholin-4-ylmethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 429.42 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-[3-fluoro-2-methoxy-4-(morpholin-4-ylmethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 122583452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).