methyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate

C11H17N3O3 — CID 66318758

IUPACmethyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)c1cc(OC)ncn1
InChIInChI=1S/C11H17N3O3/c1-4-5-14(7-11(15)17-3)9-6-10(16-2)13-8-12-9/h6,8H,4-5,7H2,1-3H3
InChIKeyKIWCJRFGJVFOKG-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.87
Rot. Bonds6

About methyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate

methyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate (PubChem CID 66318758) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate
PubChem CID66318758
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)c1cc(OC)ncn1
InChIInChI=1S/C11H17N3O3/c1-4-5-14(7-11(15)17-3)9-6-10(16-2)13-8-12-9/h6,8H,4-5,7H2,1-3H3
InChIKeyKIWCJRFGJVFOKG-UHFFFAOYSA-N
XLogP0.87
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propylamino]acetate
CID 66331907
N'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine
CID 66318967
methyl 2-[(6-ethylpyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955735
methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
CID 103081962
N-(2-chloroethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 66333214
methyl 2-[(2-methoxy-2-oxoethyl)-(6-methoxy-2-pyridinyl)amino]acetate
CID 63588742
methyl 2-[ethyl-(4-methyl-2-pyridinyl)amino]acetate
CID 62005209
methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate
CID 116796533
2-[ethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
CID 66332576
N'-(6-propoxypyrimidin-4-yl)-N'-propylethane-1,2-diamine
CID 66333622
methyl 2-[(3-carbamothioylpyrazin-2-yl)-propylamino]acetate
CID 55102898
methyl 3-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]propanoate
CID 66332677

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate?
The IUPAC name of methyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate (CID 66318758) is methyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate is CCCN(CC(=O)OC)c1cc(OC)ncn1.
What is the InChIKey of methyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate?
The InChIKey is KIWCJRFGJVFOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-5-14(7-11(15)17-3)9-6-10(16-2)13-8-12-9/h6,8H,4-5,7H2,1-3H3.
What are the key properties of methyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate?
methyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate has a molecular weight of 239.27 g/mol, XLogP of 0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate is sourced from PubChem (CID 66318758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).