6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine

C11H18N4O — CID 103541803

IUPAC6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(N2CCC(OC)C2)nc(C)n1
InChIInChI=1S/C11H18N4O/c1-8-13-10(12-2)6-11(14-8)15-5-4-9(7-15)16-3/h6,9H,4-5,7H2,1-3H3,(H,12,13,14)
InChIKeyMIXNDBCNKOGVGW-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.05
Rot. Bonds3

About 6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine

6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine (PubChem CID 103541803) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine
PubChem CID103541803
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(N2CCC(OC)C2)nc(C)n1
InChIInChI=1S/C11H18N4O/c1-8-13-10(12-2)6-11(14-8)15-5-4-9(7-15)16-3/h6,9H,4-5,7H2,1-3H3,(H,12,13,14)
InChIKeyMIXNDBCNKOGVGW-UHFFFAOYSA-N
XLogP1.05
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine
CID 108773094
6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine
CID 103541732
6-(3-methoxypyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 103541738
2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine
CID 154661534
N-ethyl-6-(4-methoxypiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 80783406
6-(3-methoxypiperidin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 102971485
N,2-dimethyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 129372098
4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 122491269
6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 80793429
6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 103541717
4-(3-methoxypyrrolidin-1-yl)-N-methylpyridin-2-amine
CID 103541733
N-ethyl-6-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 103541756

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine (CID 103541803) is 6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine is CNc1cc(N2CCC(OC)C2)nc(C)n1.
What is the InChIKey of 6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine?
The InChIKey is MIXNDBCNKOGVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-13-10(12-2)6-11(14-8)15-5-4-9(7-15)16-3/h6,9H,4-5,7H2,1-3H3,(H,12,13,14).
What are the key properties of 6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine?
6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine has a molecular weight of 222.29 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 103541803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).