5-chloro-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxyaniline

C16H17ClN4O — CID 86977933

IUPAC5-chloro-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NCc1cn2c(C)cc(C)nc2n1
InChIInChI=1S/C16H17ClN4O/c1-10-6-11(2)21-9-13(20-16(21)19-10)8-18-14-7-12(17)4-5-15(14)22-3/h4-7,9,18H,8H2,1-3H3
InChIKeyDHRNOVBPKDFMNZ-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.62
Rot. Bonds4

About 5-chloro-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxyaniline

5-chloro-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxyaniline (PubChem CID 86977933) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 5-chloro-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-chloro-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxyaniline
PubChem CID86977933
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name5-chloro-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NCc1cn2c(C)cc(C)nc2n1
InChIInChI=1S/C16H17ClN4O/c1-10-6-11(2)21-9-13(20-16(21)19-10)8-18-14-7-12(17)4-5-15(14)22-3/h4-7,9,18H,8H2,1-3H3
InChIKeyDHRNOVBPKDFMNZ-UHFFFAOYSA-N
XLogP3.62
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756549
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 87033232
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-chloro-2-methoxyaniline
CID 64800625
2-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608695
6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride
CID 2790562
5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82887682
4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 56921023
4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80762755
5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methoxyaniline
CID 64800434
5-[(5-chloro-2-methoxyanilino)methyl]-2-(2-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53044341
4-N-(5-chloro-2-methoxyphenyl)-2-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918369

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxyaniline?
The IUPAC name of 5-chloro-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxyaniline (CID 86977933) is 5-chloro-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxyaniline.
What is the SMILES notation for 5-chloro-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxyaniline?
The canonical SMILES for 5-chloro-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxyaniline is COc1ccc(Cl)cc1NCc1cn2c(C)cc(C)nc2n1.
What is the InChIKey of 5-chloro-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxyaniline?
The InChIKey is DHRNOVBPKDFMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-10-6-11(2)21-9-13(20-16(21)19-10)8-18-14-7-12(17)4-5-15(14)22-3/h4-7,9,18H,8H2,1-3H3.
What are the key properties of 5-chloro-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxyaniline?
5-chloro-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxyaniline has a molecular weight of 316.79 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxyaniline is sourced from PubChem (CID 86977933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).