4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine

C13H24N4O — CID 81068418

IUPAC4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)CCOCC)c1C
InChIInChI=1S/C13H24N4O/c1-5-7-14-12-11(3)13(16-10-15-12)17(4)8-9-18-6-2/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKeyOHOOLTGPSMKQOI-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.08
Rot. Bonds8

About 4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine

4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 81068418) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID81068418
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)CCOCC)c1C
InChIInChI=1S/C13H24N4O/c1-5-7-14-12-11(3)13(16-10-15-12)17(4)8-9-18-6-2/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKeyOHOOLTGPSMKQOI-UHFFFAOYSA-N
XLogP2.08
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.08
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

4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80851876
4-N,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80850244
4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 81067670
5-bromo-4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 114072576
4-N-(2-methoxyethyl)-5-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 82952827
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80834597
4-N,5-dimethyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80792963
2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]ethanol
CID 80771507
5-bromo-4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 81068013
4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80818099
4-N-(cyclopropylmethyl)-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80799239
N-(3-ethoxypropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80943910

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine (CID 81068418) is 4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(N(C)CCOCC)c1C.
What is the InChIKey of 4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is OHOOLTGPSMKQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-7-14-12-11(3)13(16-10-15-12)17(4)8-9-18-6-2/h10H,5-9H2,1-4H3,(H,14,15,16).
What are the key properties of 4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 81068418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).