4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine

C11H19N3O3 — CID 78818903

IUPAC4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine
SMILESCOCCOCCCNc1nccc(OC)n1
InChIInChI=1S/C11H19N3O3/c1-15-8-9-17-7-3-5-12-11-13-6-4-10(14-11)16-2/h4,6H,3,5,7-9H2,1-2H3,(H,12,13,14)
InChIKeyHHLYTPXACZDZCT-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.95
Rot. Bonds9

About 4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine

4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine (PubChem CID 78818903) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine
PubChem CID78818903
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine
SMILESCOCCOCCCNc1nccc(OC)n1
InChIInChI=1S/C11H19N3O3/c1-15-8-9-17-7-3-5-12-11-13-6-4-10(14-11)16-2/h4,6H,3,5,7-9H2,1-2H3,(H,12,13,14)
InChIKeyHHLYTPXACZDZCT-UHFFFAOYSA-N
XLogP0.95
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine
CID 112637344
2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid
CID 114098769
4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine
CID 115749068
N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 112683349
4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine
CID 115637365
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine
CID 154776272
4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine
CID 104568221
5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol
CID 103858568
N-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine
CID 112551949
[4-[2-(2-methoxyethoxy)ethoxy]pyrimidin-2-yl]hydrazine
CID 104568494

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine (CID 78818903) is 4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine is COCCOCCCNc1nccc(OC)n1.
What is the InChIKey of 4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine?
The InChIKey is HHLYTPXACZDZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-15-8-9-17-7-3-5-12-11-13-6-4-10(14-11)16-2/h4,6H,3,5,7-9H2,1-2H3,(H,12,13,14).
What are the key properties of 4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine?
4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine has a molecular weight of 241.29 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine is sourced from PubChem (CID 78818903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).