2-(methoxymethyl)-6-methyl-N-(2-quinolin-3-ylethyl)pyrimidin-4-amine

C18H20N4O — CID 138053604

IUPAC2-(methoxymethyl)-6-methyl-N-(2-quinolin-3-ylethyl)pyrimidin-4-amine
SMILESCOCc1nc(C)cc(NCCc2cnc3ccccc3c2)n1
InChIInChI=1S/C18H20N4O/c1-13-9-17(22-18(21-13)12-23-2)19-8-7-14-10-15-5-3-4-6-16(15)20-11-14/h3-6,9-11H,7-8,12H2,1-2H3,(H,19,21,22)
InChIKeyPPGILOXYTUZSNQ-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.13
Rot. Bonds6

About 2-(methoxymethyl)-6-methyl-N-(2-quinolin-3-ylethyl)pyrimidin-4-amine

2-(methoxymethyl)-6-methyl-N-(2-quinolin-3-ylethyl)pyrimidin-4-amine (PubChem CID 138053604) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-methyl-N-(2-quinolin-3-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-methyl-N-(2-quinolin-3-ylethyl)pyrimidin-4-amine
PubChem CID138053604
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-(methoxymethyl)-6-methyl-N-(2-quinolin-3-ylethyl)pyrimidin-4-amine
SMILESCOCc1nc(C)cc(NCCc2cnc3ccccc3c2)n1
InChIInChI=1S/C18H20N4O/c1-13-9-17(22-18(21-13)12-23-2)19-8-7-14-10-15-5-3-4-6-16(15)20-11-14/h3-6,9-11H,7-8,12H2,1-2H3,(H,19,21,22)
InChIKeyPPGILOXYTUZSNQ-UHFFFAOYSA-N
XLogP3.13
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol
CID 133434753
2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine
CID 64506111
N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133387523
2-methyl-N-(2-quinolin-3-ylethyl)propan-1-amine
CID 62603664
3-(3,3-dimethylbutyl)quinoline
CID 58808300
6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine
CID 80654123
N-(1,2-benzothiazol-3-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 126837755
6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine
CID 80654286
6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 82463163
2-quinolin-3-ylethanol
CID 53403774
2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine
CID 139017886
2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 62476087

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-methyl-N-(2-quinolin-3-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-6-methyl-N-(2-quinolin-3-ylethyl)pyrimidin-4-amine (CID 138053604) is 2-(methoxymethyl)-6-methyl-N-(2-quinolin-3-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-6-methyl-N-(2-quinolin-3-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-6-methyl-N-(2-quinolin-3-ylethyl)pyrimidin-4-amine is COCc1nc(C)cc(NCCc2cnc3ccccc3c2)n1.
What is the InChIKey of 2-(methoxymethyl)-6-methyl-N-(2-quinolin-3-ylethyl)pyrimidin-4-amine?
The InChIKey is PPGILOXYTUZSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-9-17(22-18(21-13)12-23-2)19-8-7-14-10-15-5-3-4-6-16(15)20-11-14/h3-6,9-11H,7-8,12H2,1-2H3,(H,19,21,22).
What are the key properties of 2-(methoxymethyl)-6-methyl-N-(2-quinolin-3-ylethyl)pyrimidin-4-amine?
2-(methoxymethyl)-6-methyl-N-(2-quinolin-3-ylethyl)pyrimidin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-methyl-N-(2-quinolin-3-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 138053604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).