5-fluoro-6-[(3-methoxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione

C15H18FN3O3 — CID 146334347

IUPAC5-fluoro-6-[(3-methoxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCOc1cccc(CNc2[nH]c(=O)n(C(C)C)c(=O)c2F)c1
InChIInChI=1S/C15H18FN3O3/c1-9(2)19-14(20)12(16)13(18-15(19)21)17-8-10-5-4-6-11(7-10)22-3/h4-7,9,17H,8H2,1-3H3,(H,18,21)
InChIKeyOEIHWXMRYIJNKJ-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.88
Rot. Bonds5

About 5-fluoro-6-[(3-methoxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione

5-fluoro-6-[(3-methoxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 146334347) has the molecular formula C15H18FN3O3 and a molecular weight of 307.33 g/mol. Its IUPAC name is 5-fluoro-6-[(3-methoxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-[(3-methoxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID146334347
Molecular FormulaC15H18FN3O3
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC Name5-fluoro-6-[(3-methoxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCOc1cccc(CNc2[nH]c(=O)n(C(C)C)c(=O)c2F)c1
InChIInChI=1S/C15H18FN3O3/c1-9(2)19-14(20)12(16)13(18-15(19)21)17-8-10-5-4-6-11(7-10)22-3/h4-7,9,17H,8H2,1-3H3,(H,18,21)
InChIKeyOEIHWXMRYIJNKJ-UHFFFAOYSA-N
XLogP1.88
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methoxyphenyl)methylamino]butan-1-ol
CID 78998469
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CID 28878919
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919
6-[(3-hydroxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 146334475
2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
8-[(3-methoxyphenyl)methylamino]-1,3-dimethyl-7H-purine-2,6-dione
CID 1493345
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
2-[(3-methoxyphenyl)methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741360
1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 103878320
3,4-difluoro-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 62533179
4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 28623734
2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline
CID 28879448

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[(3-methoxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-[(3-methoxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione (CID 146334347) is 5-fluoro-6-[(3-methoxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-[(3-methoxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-[(3-methoxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione is COc1cccc(CNc2[nH]c(=O)n(C(C)C)c(=O)c2F)c1.
What is the InChIKey of 5-fluoro-6-[(3-methoxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is OEIHWXMRYIJNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-9(2)19-14(20)12(16)13(18-15(19)21)17-8-10-5-4-6-11(7-10)22-3/h4-7,9,17H,8H2,1-3H3,(H,18,21).
What are the key properties of 5-fluoro-6-[(3-methoxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
5-fluoro-6-[(3-methoxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 307.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[(3-methoxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 146334347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).