N,N-diethyl-5-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-amine

C16H30N4O — CID 62745099

IUPACN,N-diethyl-5-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-amine
SMILESCCN(CC)c1nc(C)c(CCCNCCOC)c(C)n1
InChIInChI=1S/C16H30N4O/c1-6-20(7-2)16-18-13(3)15(14(4)19-16)9-8-10-17-11-12-21-5/h17H,6-12H2,1-5H3
InChIKeyDXCKVPZOQKGJPE-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.11
Rot. Bonds10

About N,N-diethyl-5-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-amine

N,N-diethyl-5-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 62745099) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N,N-diethyl-5-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID62745099
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN,N-diethyl-5-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-amine
SMILESCCN(CC)c1nc(C)c(CCCNCCOC)c(C)n1
InChIInChI=1S/C16H30N4O/c1-6-20(7-2)16-18-13(3)15(14(4)19-16)9-8-10-17-11-12-21-5/h17H,6-12H2,1-5H3
InChIKeyDXCKVPZOQKGJPE-UHFFFAOYSA-N
XLogP2.11
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N,N-diethyl-5-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-amine (CID 62745099) is N,N-diethyl-5-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N,N-diethyl-5-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N,N-diethyl-5-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-amine is CCN(CC)c1nc(C)c(CCCNCCOC)c(C)n1.
What is the InChIKey of N,N-diethyl-5-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is DXCKVPZOQKGJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-6-20(7-2)16-18-13(3)15(14(4)19-16)9-8-10-17-11-12-21-5/h17H,6-12H2,1-5H3.
What are the key properties of N,N-diethyl-5-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-amine?
N,N-diethyl-5-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 294.44 g/mol, XLogP of 2.11, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 62745099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).