3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide

C21H27FN4O2 — CID 46974939

IUPAC3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide
SMILESCc1nc(N)nc(C)c1CCC(=O)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C21H27FN4O2/c1-14-18(15(2)26-20(23)25-14)6-7-19(27)24-13-21(8-10-28-11-9-21)16-4-3-5-17(22)12-16/h3-5,12H,6-11,13H2,1-2H3,(H,24,27)(H2,23,25,26)
InChIKeyOPVMLCCBAWZIPQ-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.61
Rot. Bonds6

About 3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide

3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide (PubChem CID 46974939) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide
PubChem CID46974939
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide
SMILESCc1nc(N)nc(C)c1CCC(=O)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C21H27FN4O2/c1-14-18(15(2)26-20(23)25-14)6-7-19(27)24-13-21(8-10-28-11-9-21)16-4-3-5-17(22)12-16/h3-5,12H,6-11,13H2,1-2H3,(H,24,27)(H2,23,25,26)
InChIKeyOPVMLCCBAWZIPQ-UHFFFAOYSA-N
XLogP2.61
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 118776703
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 51125078
3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 120611193
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide
CID 86869234
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 110479509
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 52739663
2-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1,3-benzothiazole-5-carboxamide
CID 155495836
2-(4-fluorophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 46976047
6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide
CID 110482650
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide
CID 56911914

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide?
The IUPAC name of 3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide (CID 46974939) is 3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide?
The canonical SMILES for 3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide is Cc1nc(N)nc(C)c1CCC(=O)NCC1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide?
The InChIKey is OPVMLCCBAWZIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-14-18(15(2)26-20(23)25-14)6-7-19(27)24-13-21(8-10-28-11-9-21)16-4-3-5-17(22)12-16/h3-5,12H,6-11,13H2,1-2H3,(H,24,27)(H2,23,25,26).
What are the key properties of 3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide?
3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide has a molecular weight of 386.47 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide is sourced from PubChem (CID 46974939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).