4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine

C13H23N3O4 — CID 115749068

IUPAC4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine
SMILESCOCCOCCCCNc1nc(OC)cc(OC)n1
InChIInChI=1S/C13H23N3O4/c1-17-8-9-20-7-5-4-6-14-13-15-11(18-2)10-12(16-13)19-3/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyRIAJZFSNWJKKMQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.35
Rot. Bonds11

About 4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine

4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine (PubChem CID 115749068) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine
PubChem CID115749068
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine
SMILESCOCCOCCCCNc1nc(OC)cc(OC)n1
InChIInChI=1S/C13H23N3O4/c1-17-8-9-20-7-5-4-6-14-13-15-11(18-2)10-12(16-13)19-3/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyRIAJZFSNWJKKMQ-UHFFFAOYSA-N
XLogP1.35
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 106012404
4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine
CID 78818903
N-decyl-4,6-dimethoxypyrimidin-2-amine
CID 115355214
N-butyl-4,6-dimethoxypyrimidin-2-amine
CID 19737713
N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323661
2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107554351
N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 113292899
N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 115355108
4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine
CID 115355134
4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine
CID 106222455
1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine
CID 106127490
3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine
CID 102759816

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine (CID 115749068) is 4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine is COCCOCCCCNc1nc(OC)cc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine?
The InChIKey is RIAJZFSNWJKKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-17-8-9-20-7-5-4-6-14-13-15-11(18-2)10-12(16-13)19-3/h10H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of 4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine?
4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine has a molecular weight of 285.34 g/mol, XLogP of 1.35, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine is sourced from PubChem (CID 115749068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).