5-[(3-chloro-2-ethoxyanilino)methyl]-6-methoxypyrimidin-4-amine

C14H17ClN4O2 — CID 75515167

IUPAC5-[(3-chloro-2-ethoxyanilino)methyl]-6-methoxypyrimidin-4-amine
SMILESCCOc1c(Cl)cccc1NCc1c(N)ncnc1OC
InChIInChI=1S/C14H17ClN4O2/c1-3-21-12-10(15)5-4-6-11(12)17-7-9-13(16)18-8-19-14(9)20-2/h4-6,8,17H,3,7H2,1-2H3,(H2,16,18,19)
InChIKeyPLGQDPQVDURGHZ-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.73
Rot. Bonds6

About 5-[(3-chloro-2-ethoxyanilino)methyl]-6-methoxypyrimidin-4-amine

5-[(3-chloro-2-ethoxyanilino)methyl]-6-methoxypyrimidin-4-amine (PubChem CID 75515167) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-[(3-chloro-2-ethoxyanilino)methyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-[(3-chloro-2-ethoxyanilino)methyl]-6-methoxypyrimidin-4-amine
PubChem CID75515167
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name5-[(3-chloro-2-ethoxyanilino)methyl]-6-methoxypyrimidin-4-amine
SMILESCCOc1c(Cl)cccc1NCc1c(N)ncnc1OC
InChIInChI=1S/C14H17ClN4O2/c1-3-21-12-10(15)5-4-6-11(12)17-7-9-13(16)18-8-19-14(9)20-2/h4-6,8,17H,3,7H2,1-2H3,(H2,16,18,19)
InChIKeyPLGQDPQVDURGHZ-UHFFFAOYSA-N
XLogP2.73
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3-chloro-2-ethoxyphenyl)hydrazine
CID 130779145
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,3-dimethylaniline
CID 43552231
5-[(2-bromoprop-2-enylamino)methyl]-6-methoxypyrimidin-4-amine
CID 115685581
1-(2-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine
CID 43552155
5-(3-chloro-2-ethoxyanilino)pentan-1-ol
CID 111770370
6-(2-chloro-6-nitrophenoxy)-5-ethylpyrimidin-4-amine
CID 107719391
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 103292944
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1H-indazol-7-amine
CID 43730940
4-chloro-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-iodoaniline
CID 107631477
(2R)-2-[(4-amino-6-methoxypyrimidin-5-yl)methylamino]propan-1-ol
CID 103773604
3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea
CID 150580379
4-N-[(2-chloro-6-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 103293672

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-ethoxyanilino)methyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of 5-[(3-chloro-2-ethoxyanilino)methyl]-6-methoxypyrimidin-4-amine (CID 75515167) is 5-[(3-chloro-2-ethoxyanilino)methyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for 5-[(3-chloro-2-ethoxyanilino)methyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for 5-[(3-chloro-2-ethoxyanilino)methyl]-6-methoxypyrimidin-4-amine is CCOc1c(Cl)cccc1NCc1c(N)ncnc1OC.
What is the InChIKey of 5-[(3-chloro-2-ethoxyanilino)methyl]-6-methoxypyrimidin-4-amine?
The InChIKey is PLGQDPQVDURGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-3-21-12-10(15)5-4-6-11(12)17-7-9-13(16)18-8-19-14(9)20-2/h4-6,8,17H,3,7H2,1-2H3,(H2,16,18,19).
What are the key properties of 5-[(3-chloro-2-ethoxyanilino)methyl]-6-methoxypyrimidin-4-amine?
5-[(3-chloro-2-ethoxyanilino)methyl]-6-methoxypyrimidin-4-amine has a molecular weight of 308.77 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-ethoxyanilino)methyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 75515167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).