4-N-[3-(diethylamino)propyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine

C14H27N5O2 — CID 82455290

IUPAC4-N-[3-(diethylamino)propyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
SMILESCCN(CC)CCCNc1ncnc(OCCOC)c1N
InChIInChI=1S/C14H27N5O2/c1-4-19(5-2)8-6-7-16-13-12(15)14(18-11-17-13)21-10-9-20-3/h11H,4-10,15H2,1-3H3,(H,16,17,18)
InChIKeyLFKCSSYPPCUPHB-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.23
Rot. Bonds11

About 4-N-[3-(diethylamino)propyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine

4-N-[3-(diethylamino)propyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine (PubChem CID 82455290) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-N-[3-(diethylamino)propyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[3-(diethylamino)propyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
PubChem CID82455290
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name4-N-[3-(diethylamino)propyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
SMILESCCN(CC)CCCNc1ncnc(OCCOC)c1N
InChIInChI=1S/C14H27N5O2/c1-4-19(5-2)8-6-7-16-13-12(15)14(18-11-17-13)21-10-9-20-3/h11H,4-10,15H2,1-3H3,(H,16,17,18)
InChIKeyLFKCSSYPPCUPHB-UHFFFAOYSA-N
XLogP1.23
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine
CID 82455281
6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 82455287
4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455310
6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82455271
2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide
CID 106234455
tert-butyl N-[3-[(5-amino-6-propoxypyrimidin-4-yl)amino]propyl]carbamate
CID 104932840
5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
CID 80859758
4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777327
4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
CID 82455553
4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455299
N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 66342316
N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 55229294

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(diethylamino)propyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[3-(diethylamino)propyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine (CID 82455290) is 4-N-[3-(diethylamino)propyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[3-(diethylamino)propyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[3-(diethylamino)propyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine is CCN(CC)CCCNc1ncnc(OCCOC)c1N.
What is the InChIKey of 4-N-[3-(diethylamino)propyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine?
The InChIKey is LFKCSSYPPCUPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-4-19(5-2)8-6-7-16-13-12(15)14(18-11-17-13)21-10-9-20-3/h11H,4-10,15H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-[3-(diethylamino)propyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine?
4-N-[3-(diethylamino)propyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine has a molecular weight of 297.40 g/mol, XLogP of 1.23, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(diethylamino)propyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 82455290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).