2-N-[3-(dimethylamino)propyl]-4,6-dimethoxypyrimidine-2,5-diamine

C11H21N5O2 — CID 20745803

IUPAC2-N-[3-(dimethylamino)propyl]-4,6-dimethoxypyrimidine-2,5-diamine
SMILESCOc1nc(NCCCN(C)C)nc(OC)c1N
InChIInChI=1S/C11H21N5O2/c1-16(2)7-5-6-13-11-14-9(17-3)8(12)10(15-11)18-4/h5-7,12H2,1-4H3,(H,13,14,15)
InChIKeyLCLLTFCFMZRITC-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.44
Rot. Bonds7

About 2-N-[3-(dimethylamino)propyl]-4,6-dimethoxypyrimidine-2,5-diamine

2-N-[3-(dimethylamino)propyl]-4,6-dimethoxypyrimidine-2,5-diamine (PubChem CID 20745803) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-4,6-dimethoxypyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-4,6-dimethoxypyrimidine-2,5-diamine
PubChem CID20745803
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name2-N-[3-(dimethylamino)propyl]-4,6-dimethoxypyrimidine-2,5-diamine
SMILESCOc1nc(NCCCN(C)C)nc(OC)c1N
InChIInChI=1S/C11H21N5O2/c1-16(2)7-5-6-13-11-14-9(17-3)8(12)10(15-11)18-4/h5-7,12H2,1-4H3,(H,13,14,15)
InChIKeyLCLLTFCFMZRITC-UHFFFAOYSA-N
XLogP0.44
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.44
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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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-4,6-dimethoxypyrimidine-2,5-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-4,6-dimethoxypyrimidine-2,5-diamine (CID 20745803) is 2-N-[3-(dimethylamino)propyl]-4,6-dimethoxypyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-4,6-dimethoxypyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-4,6-dimethoxypyrimidine-2,5-diamine is COc1nc(NCCCN(C)C)nc(OC)c1N.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-4,6-dimethoxypyrimidine-2,5-diamine?
The InChIKey is LCLLTFCFMZRITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-16(2)7-5-6-13-11-14-9(17-3)8(12)10(15-11)18-4/h5-7,12H2,1-4H3,(H,13,14,15).
What are the key properties of 2-N-[3-(dimethylamino)propyl]-4,6-dimethoxypyrimidine-2,5-diamine?
2-N-[3-(dimethylamino)propyl]-4,6-dimethoxypyrimidine-2,5-diamine has a molecular weight of 255.32 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-4,6-dimethoxypyrimidine-2,5-diamine is sourced from PubChem (CID 20745803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).