2-cyclopropyl-4-N-[3-(diethylamino)propyl]-6-methoxypyrimidine-4,5-diamine

C15H27N5O — CID 82456191

IUPAC2-cyclopropyl-4-N-[3-(diethylamino)propyl]-6-methoxypyrimidine-4,5-diamine
SMILESCCN(CC)CCCNc1nc(C2CC2)nc(OC)c1N
InChIInChI=1S/C15H27N5O/c1-4-20(5-2)10-6-9-17-14-12(16)15(21-3)19-13(18-14)11-7-8-11/h11H,4-10,16H2,1-3H3,(H,17,18,19)
InChIKeyRZMUZDIONXLRBQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.09
Rot. Bonds9

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

2-cyclopropyl-4-N-[3-(diethylamino)propyl]-6-methoxypyrimidine-4,5-diamine (PubChem CID 82456191) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-[3-(diethylamino)propyl]-6-methoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-[3-(diethylamino)propyl]-6-methoxypyrimidine-4,5-diamine
PubChem CID82456191
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2-cyclopropyl-4-N-[3-(diethylamino)propyl]-6-methoxypyrimidine-4,5-diamine
SMILESCCN(CC)CCCNc1nc(C2CC2)nc(OC)c1N
InChIInChI=1S/C15H27N5O/c1-4-20(5-2)10-6-9-17-14-12(16)15(21-3)19-13(18-14)11-7-8-11/h11H,4-10,16H2,1-3H3,(H,17,18,19)
InChIKeyRZMUZDIONXLRBQ-UHFFFAOYSA-N
XLogP2.09
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methoxypyrimidine-4,5-diamine
CID 82458475
4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine
CID 82456171
2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine
CID 82458482
4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine
CID 82458490
N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80968725
2-cyclohexyl-6-methoxy-4-N-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458480
2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine
CID 82456230
2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine
CID 82456253
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 82456458
2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine
CID 82456267
4-N-[3-(diethylamino)propyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455290
4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
CID 82456242

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-[3-(diethylamino)propyl]-6-methoxypyrimidine-4,5-diamine?
The IUPAC name of 2-cyclopropyl-4-N-[3-(diethylamino)propyl]-6-methoxypyrimidine-4,5-diamine (CID 82456191) is 2-cyclopropyl-4-N-[3-(diethylamino)propyl]-6-methoxypyrimidine-4,5-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-[3-(diethylamino)propyl]-6-methoxypyrimidine-4,5-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-[3-(diethylamino)propyl]-6-methoxypyrimidine-4,5-diamine is CCN(CC)CCCNc1nc(C2CC2)nc(OC)c1N.
What is the InChIKey of 2-cyclopropyl-4-N-[3-(diethylamino)propyl]-6-methoxypyrimidine-4,5-diamine?
The InChIKey is RZMUZDIONXLRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-4-20(5-2)10-6-9-17-14-12(16)15(21-3)19-13(18-14)11-7-8-11/h11H,4-10,16H2,1-3H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-4-N-[3-(diethylamino)propyl]-6-methoxypyrimidine-4,5-diamine?
2-cyclopropyl-4-N-[3-(diethylamino)propyl]-6-methoxypyrimidine-4,5-diamine has a molecular weight of 293.41 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-[3-(diethylamino)propyl]-6-methoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82456191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).