4-N-ethyl-4-N-(1-methoxypropan-2-yl)-5-methylpyrimidine-2,4-diamine

C11H20N4O — CID 80815675

IUPAC4-N-ethyl-4-N-(1-methoxypropan-2-yl)-5-methylpyrimidine-2,4-diamine
SMILESCCN(c1nc(N)ncc1C)C(C)COC
InChIInChI=1S/C11H20N4O/c1-5-15(9(3)7-16-4)10-8(2)6-13-11(12)14-10/h6,9H,5,7H2,1-4H3,(H2,12,13,14)
InChIKeySPUCWTCZRRGZRY-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.23
Rot. Bonds5

About 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-5-methylpyrimidine-2,4-diamine

4-N-ethyl-4-N-(1-methoxypropan-2-yl)-5-methylpyrimidine-2,4-diamine (PubChem CID 80815675) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(1-methoxypropan-2-yl)-5-methylpyrimidine-2,4-diamine
PubChem CID80815675
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-N-ethyl-4-N-(1-methoxypropan-2-yl)-5-methylpyrimidine-2,4-diamine
SMILESCCN(c1nc(N)ncc1C)C(C)COC
InChIInChI=1S/C11H20N4O/c1-5-15(9(3)7-16-4)10-8(2)6-13-11(12)14-10/h6,9H,5,7H2,1-4H3,(H2,12,13,14)
InChIKeySPUCWTCZRRGZRY-UHFFFAOYSA-N
XLogP1.23
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80796019
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-methyl-1H-imidazole-4,5-diamine
CID 114995342
5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine
CID 80637510
3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 80811126
5-bromo-N-ethyl-2-hydrazinyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80901659
5-amino-2-[ethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile
CID 55010953
1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80826755
8-N-ethyl-8-N-(1-methoxypropan-2-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80815585
4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80814766
2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791211
3-[(2-amino-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80830637
3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62283539

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-5-methylpyrimidine-2,4-diamine (CID 80815675) is 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-5-methylpyrimidine-2,4-diamine is CCN(c1nc(N)ncc1C)C(C)COC.
What is the InChIKey of 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-5-methylpyrimidine-2,4-diamine?
The InChIKey is SPUCWTCZRRGZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-15(9(3)7-16-4)10-8(2)6-13-11(12)14-10/h6,9H,5,7H2,1-4H3,(H2,12,13,14).
What are the key properties of 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-5-methylpyrimidine-2,4-diamine?
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-5-methylpyrimidine-2,4-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80815675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).