5-methoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine

C11H18N4O — CID 83838864

IUPAC5-methoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
SMILESCOc1c(C)ncnc1NCC1CCCN1
InChIInChI=1S/C11H18N4O/c1-8-10(16-2)11(15-7-14-8)13-6-9-4-3-5-12-9/h7,9,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyAJVJPQCNPOYENJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.96
Rot. Bonds4

About 5-methoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine

5-methoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 83838864) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-methoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
PubChem CID83838864
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-methoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
SMILESCOc1c(C)ncnc1NCC1CCCN1
InChIInChI=1S/C11H18N4O/c1-8-10(16-2)11(15-7-14-8)13-6-9-4-3-5-12-9/h7,9,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyAJVJPQCNPOYENJ-UHFFFAOYSA-N
XLogP0.96
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 83833834
6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 66569768
N-(pyrrolidin-2-ylmethyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
CID 83837778
6-methoxy-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106636193
5-methoxy-6-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 83834197
3-bromo-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106876097
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208267
6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine
CID 115054238
4-methoxy-3,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210173
5-bromo-3-[(4-methoxyphenyl)methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazin-2-amine
CID 141304935
5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974786
5-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 66280499

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-methoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine (CID 83838864) is 5-methoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-methoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine is COc1c(C)ncnc1NCC1CCCN1.
What is the InChIKey of 5-methoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is AJVJPQCNPOYENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-10(16-2)11(15-7-14-8)13-6-9-4-3-5-12-9/h7,9,12H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-methoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
5-methoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 222.29 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 83838864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).