6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine

C15H18ClN3O — CID 106193521

IUPAC6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCc2cccc(COC)c2)n1
InChIInChI=1S/C15H18ClN3O/c1-3-14-18-13(16)8-15(19-14)17-9-11-5-4-6-12(7-11)10-20-2/h4-8H,3,9-10H2,1-2H3,(H,17,18,19)
InChIKeyXBJGAXPZZIYELW-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.45
Rot. Bonds6

About 6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine

6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 106193521) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID106193521
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCc2cccc(COC)c2)n1
InChIInChI=1S/C15H18ClN3O/c1-3-14-18-13(16)8-15(19-14)17-9-11-5-4-6-12(7-11)10-20-2/h4-8H,3,9-10H2,1-2H3,(H,17,18,19)
InChIKeyXBJGAXPZZIYELW-UHFFFAOYSA-N
XLogP3.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-chloro-2-ethylpyrimidin-4-amine
CID 80935618
6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 103879876
6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 106193475
6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 80938818
4-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 80935909
N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 61253758
N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine
CID 82453753
4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 62858640
N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 61226702
4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol
CID 106196664
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80939549

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine (CID 106193521) is 6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine is CCc1nc(Cl)cc(NCc2cccc(COC)c2)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is XBJGAXPZZIYELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-14-18-13(16)8-15(19-14)17-9-11-5-4-6-12(7-11)10-20-2/h4-8H,3,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 291.78 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 106193521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).