3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol

C12H21N3O3 — CID 114156370

IUPAC3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol
SMILESCCCOc1cc(C)nc(NC(CO)COC)n1
InChIInChI=1S/C12H21N3O3/c1-4-5-18-11-6-9(2)13-12(15-11)14-10(7-16)8-17-3/h6,10,16H,4-5,7-8H2,1-3H3,(H,13,14,15)
InChIKeyIJEJUGLDEFJDAB-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.99
Rot. Bonds8

About 3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol

3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol (PubChem CID 114156370) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol
PubChem CID114156370
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol
SMILESCCCOc1cc(C)nc(NC(CO)COC)n1
InChIInChI=1S/C12H21N3O3/c1-4-5-18-11-6-9(2)13-12(15-11)14-10(7-16)8-17-3/h6,10,16H,4-5,7-8H2,1-3H3,(H,13,14,15)
InChIKeyIJEJUGLDEFJDAB-UHFFFAOYSA-N
XLogP0.99
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637434
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
1-N,1-N,4-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)pentane-1,2-diamine
CID 115974797
5-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 115973199
4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine
CID 115974921
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol
CID 107866270
1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 115974718
N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115974734
1,1-dimethyl-2-(4-methyl-6-propoxypyrimidin-2-yl)hydrazine
CID 112638424
(2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 114982569
4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
CID 112637867

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol?
The IUPAC name of 3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol (CID 114156370) is 3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol is CCCOc1cc(C)nc(NC(CO)COC)n1.
What is the InChIKey of 3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol?
The InChIKey is IJEJUGLDEFJDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-5-18-11-6-9(2)13-12(15-11)14-10(7-16)8-17-3/h6,10,16H,4-5,7-8H2,1-3H3,(H,13,14,15).
What are the key properties of 3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol?
3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol has a molecular weight of 255.32 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 114156370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).