5-methoxy-N-methyl-N-(quinolin-5-ylmethyl)pyrimidin-2-amine

C16H16N4O — CID 70751045

IUPAC5-methoxy-N-methyl-N-(quinolin-5-ylmethyl)pyrimidin-2-amine
SMILESCOc1cnc(N(C)Cc2cccc3ncccc23)nc1
InChIInChI=1S/C16H16N4O/c1-20(16-18-9-13(21-2)10-19-16)11-12-5-3-7-15-14(12)6-4-8-17-15/h3-10H,11H2,1-2H3
InChIKeyQWCFCOAPZFAVJI-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.67
Rot. Bonds4

About 5-methoxy-N-methyl-N-(quinolin-5-ylmethyl)pyrimidin-2-amine

5-methoxy-N-methyl-N-(quinolin-5-ylmethyl)pyrimidin-2-amine (PubChem CID 70751045) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-methoxy-N-methyl-N-(quinolin-5-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-N-(quinolin-5-ylmethyl)pyrimidin-2-amine
PubChem CID70751045
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-methoxy-N-methyl-N-(quinolin-5-ylmethyl)pyrimidin-2-amine
SMILESCOc1cnc(N(C)Cc2cccc3ncccc23)nc1
InChIInChI=1S/C16H16N4O/c1-20(16-18-9-13(21-2)10-19-16)11-12-5-3-7-15-14(12)6-4-8-17-15/h3-10H,11H2,1-2H3
InChIKeyQWCFCOAPZFAVJI-UHFFFAOYSA-N
XLogP2.67
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 70744785
5-ethyl-7-methoxyquinoline
CID 173249228
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
propan-2-yl N-methyl-N-(quinolin-5-ylmethyl)carbamate
CID 135388422
ethane;5-ethylquinoline
CID 143401043
5-(4-methoxyphenoxy)quinoline
CID 122457274
(4-methoxy-2-quinolin-5-yloxyphenyl)methanamine
CID 103043786
3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91785441
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-ylacetamide
CID 34982278
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine
CID 61420405
5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 171328588
[2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 55134024

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-N-(quinolin-5-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-methoxy-N-methyl-N-(quinolin-5-ylmethyl)pyrimidin-2-amine (CID 70751045) is 5-methoxy-N-methyl-N-(quinolin-5-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-methoxy-N-methyl-N-(quinolin-5-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-methoxy-N-methyl-N-(quinolin-5-ylmethyl)pyrimidin-2-amine is COc1cnc(N(C)Cc2cccc3ncccc23)nc1.
What is the InChIKey of 5-methoxy-N-methyl-N-(quinolin-5-ylmethyl)pyrimidin-2-amine?
The InChIKey is QWCFCOAPZFAVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20(16-18-9-13(21-2)10-19-16)11-12-5-3-7-15-14(12)6-4-8-17-15/h3-10H,11H2,1-2H3.
What are the key properties of 5-methoxy-N-methyl-N-(quinolin-5-ylmethyl)pyrimidin-2-amine?
5-methoxy-N-methyl-N-(quinolin-5-ylmethyl)pyrimidin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-N-(quinolin-5-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 70751045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).