1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol

C11H19N3O3 — CID 66327344

IUPAC1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
SMILESCCOc1cc(NCC(O)COC)nc(C)n1
InChIInChI=1S/C11H19N3O3/c1-4-17-11-5-10(13-8(2)14-11)12-6-9(15)7-16-3/h5,9,15H,4,6-7H2,1-3H3,(H,12,13,14)
InChIKeyOWIHLULXZRLTHQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.60
Rot. Bonds7

About 1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol

1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol (PubChem CID 66327344) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
PubChem CID66327344
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
SMILESCCOc1cc(NCC(O)COC)nc(C)n1
InChIInChI=1S/C11H19N3O3/c1-4-17-11-5-10(13-8(2)14-11)12-6-9(15)7-16-3/h5,9,15H,4,6-7H2,1-3H3,(H,12,13,14)
InChIKeyOWIHLULXZRLTHQ-UHFFFAOYSA-N
XLogP0.60
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66326521
1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80836350
1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 66324853
1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257562
1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 78993257
N-(2-chloro-2-cyclopropylethyl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66333544
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid
CID 66332295
3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine
CID 106154692
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetamide
CID 66325856
1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80547085
3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol
CID 66331506

Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol (CID 66327344) is 1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol is CCOc1cc(NCC(O)COC)nc(C)n1.
What is the InChIKey of 1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
The InChIKey is OWIHLULXZRLTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-17-11-5-10(13-8(2)14-11)12-6-9(15)7-16-3/h5,9,15H,4,6-7H2,1-3H3,(H,12,13,14).
What are the key properties of 1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol has a molecular weight of 241.29 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 66327344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).