6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine

C13H22N4O — CID 66327743

IUPAC6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
SMILESCOc1cc(NCCCN2CCCC2)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-11-15-12(10-13(16-11)18-2)14-6-5-9-17-7-3-4-8-17/h10H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyLWDXUPVDQBCYMX-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.69
Rot. Bonds6

About 6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine

6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine (PubChem CID 66327743) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
PubChem CID66327743
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
SMILESCOc1cc(NCCCN2CCCC2)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-11-15-12(10-13(16-11)18-2)14-6-5-9-17-7-3-4-8-17/h10H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyLWDXUPVDQBCYMX-UHFFFAOYSA-N
XLogP1.69
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
CID 82457974
6-methoxy-2-methyl-N-octylpyrimidin-4-amine
CID 113337456
2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine
CID 72914778
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]ethanol
CID 66325251
1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine
CID 106127472
2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine
CID 82453993
N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80870434
2-methyl-4-(3-pyrrolidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136956622
6-methoxy-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973053
methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate
CID 133432183
N-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331858
6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66325980

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine (CID 66327743) is 6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine is COc1cc(NCCCN2CCCC2)nc(C)n1.
What is the InChIKey of 6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The InChIKey is LWDXUPVDQBCYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11-15-12(10-13(16-11)18-2)14-6-5-9-17-7-3-4-8-17/h10H,3-9H2,1-2H3,(H,14,15,16).
What are the key properties of 6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 66327743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).