6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine

C16H21FN4O — CID 133422610

IUPAC6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2ccnc(OC(C)(C)C)c2)c1F
InChIInChI=1S/C16H21FN4O/c1-5-12-14(17)15(21-10-20-12)19-9-11-6-7-18-13(8-11)22-16(2,3)4/h6-8,10H,5,9H2,1-4H3,(H,19,20,21)
InChIKeyHKKMGFWABOTPFS-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.36
Rot. Bonds5

About 6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine (PubChem CID 133422610) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine
PubChem CID133422610
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2ccnc(OC(C)(C)C)c2)c1F
InChIInChI=1S/C16H21FN4O/c1-5-12-14(17)15(21-10-20-12)19-9-11-6-7-18-13(8-11)22-16(2,3)4/h6-8,10H,5,9H2,1-4H3,(H,19,20,21)
InChIKeyHKKMGFWABOTPFS-UHFFFAOYSA-N
XLogP3.36
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine 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

6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 103867430
6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 133418376
5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine
CID 133422616
N-[(4-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045737
3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]benzenesulfonamide
CID 133418607
6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine
CID 146094050
5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80831799
2-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133422603
6-cyclobutyl-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine
CID 171328361
4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80809447
[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methanol
CID 61257367
6-ethyl-5-fluoro-N-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]pyrimidin-4-amine
CID 51356134

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine (CID 133422610) is 6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine is CCc1ncnc(NCc2ccnc(OC(C)(C)C)c2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine?
The InChIKey is HKKMGFWABOTPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-5-12-14(17)15(21-10-20-12)19-9-11-6-7-18-13(8-11)22-16(2,3)4/h6-8,10H,5,9H2,1-4H3,(H,19,20,21).
What are the key properties of 6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine has a molecular weight of 304.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133422610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).