2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine

C11H20N4O — CID 133381871

IUPAC2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCCOCCCNc1nccc(N(C)C)n1
InChIInChI=1S/C11H20N4O/c1-4-16-9-5-7-12-11-13-8-6-10(14-11)15(2)3/h6,8H,4-5,7,9H2,1-3H3,(H,12,13,14)
InChIKeyVNQMOIIKGYNRJM-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.38
Rot. Bonds7

About 2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine

2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 133381871) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID133381871
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCCOCCCNc1nccc(N(C)C)n1
InChIInChI=1S/C11H20N4O/c1-4-16-9-5-7-12-11-13-8-6-10(14-11)15(2)3/h6,8H,4-5,7,9H2,1-3H3,(H,12,13,14)
InChIKeyVNQMOIIKGYNRJM-UHFFFAOYSA-N
XLogP1.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.38
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,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine
CID 133381954
N-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine
CID 80944662
4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine
CID 82944082
4-N,4-N-dimethyl-2-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine
CID 133398596
4-N-(2-ethoxyethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80792749
4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 133383415
2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112887794
4-N-(2-methoxypropyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 112754759
N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine
CID 106308364
2-(3-butoxypropylamino)pyrimidine-4-carboxylic acid
CID 107554394
2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid
CID 107554293
4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine
CID 78818903

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 133381871) is 2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine is CCOCCCNc1nccc(N(C)C)n1.
What is the InChIKey of 2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is VNQMOIIKGYNRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-16-9-5-7-12-11-13-8-6-10(14-11)15(2)3/h6,8H,4-5,7,9H2,1-3H3,(H,12,13,14).
What are the key properties of 2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine?
2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 133381871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).