N-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine

C13H23N3O2 — CID 82453767

IUPACN-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine
SMILESCCOCCCNc1cc(OC)nc(C(C)C)n1
InChIInChI=1S/C13H23N3O2/c1-5-18-8-6-7-14-11-9-12(17-4)16-13(15-11)10(2)3/h9-10H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyBMRHKZZZKPVYOM-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.45
Rot. Bonds8

About N-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine

N-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine (PubChem CID 82453767) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine
PubChem CID82453767
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine
SMILESCCOCCCNc1cc(OC)nc(C(C)C)n1
InChIInChI=1S/C13H23N3O2/c1-5-18-8-6-7-14-11-9-12(17-4)16-13(15-11)10(2)3/h9-10H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyBMRHKZZZKPVYOM-UHFFFAOYSA-N
XLogP2.45
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-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

2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine
CID 82456362
4-N-(2-ethoxyethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967942
6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954148
6-heptoxy-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955663
N',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
CID 82454095
N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457692
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
N-(6-butoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454377
N-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82453924
2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80967735
4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933354
6-methoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine
CID 82457982

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine (CID 82453767) is N-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine is CCOCCCNc1cc(OC)nc(C(C)C)n1.
What is the InChIKey of N-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is BMRHKZZZKPVYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-18-8-6-7-14-11-9-12(17-4)16-13(15-11)10(2)3/h9-10H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of N-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine?
N-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 82453767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).