4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine

C9H16N4O — CID 80796019

IUPAC4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine
SMILESCOCCN(C)c1nc(N)ncc1C
InChIInChI=1S/C9H16N4O/c1-7-6-11-9(10)12-8(7)13(2)4-5-14-3/h6H,4-5H2,1-3H3,(H2,10,11,12)
InChIKeyPPYATLSLHPMIPO-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.45
Rot. Bonds4

About 4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine

4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 80796019) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID80796019
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine
SMILESCOCCN(C)c1nc(N)ncc1C
InChIInChI=1S/C9H16N4O/c1-7-6-11-9(10)12-8(7)13(2)4-5-14-3/h6H,4-5H2,1-3H3,(H2,10,11,12)
InChIKeyPPYATLSLHPMIPO-UHFFFAOYSA-N
XLogP0.45
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80830637
1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80826755
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-5-methylpyrimidine-2,4-diamine
CID 80815675
4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyrimidine-2,4-diamine
CID 80825681
4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80794458
4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80809527
3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine
CID 87370694
2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791211
4-N-(2,2-dimethylpropyl)-4-N,5-dimethylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 122516779
3-amino-2-[2-methoxyethyl(methyl)amino]pyridine-4-carbonitrile
CID 82817144
sodium;3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine;hydride
CID 87940756
2-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 80753562

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine (CID 80796019) is 4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine is COCCN(C)c1nc(N)ncc1C.
What is the InChIKey of 4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is PPYATLSLHPMIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-6-11-9(10)12-8(7)13(2)4-5-14-3/h6H,4-5H2,1-3H3,(H2,10,11,12).
What are the key properties of 4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine?
4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 196.25 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80796019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).