methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate

C10H15N3O2 — CID 55151659

IUPACmethyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1cc(C(C)C)ncn1
InChIInChI=1S/C10H15N3O2/c1-7(2)8-4-9(13-6-12-8)11-5-10(14)15-3/h4,6-7H,5H2,1-3H3,(H,11,12,13)
InChIKeySTZNENAVZCKROM-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.18
Rot. Bonds4

About methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate

methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate (PubChem CID 55151659) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate
PubChem CID55151659
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1cc(C(C)C)ncn1
InChIInChI=1S/C10H15N3O2/c1-7(2)8-4-9(13-6-12-8)11-5-10(14)15-3/h4,6-7H,5H2,1-3H3,(H,11,12,13)
InChIKeySTZNENAVZCKROM-UHFFFAOYSA-N
XLogP1.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Isopropyl-N-(3-methoxy-3-methylbutyl)pyrimidin-4-amine
CID 72855259
[Isobutyl(2-methyl-6-propylpyrimidin-4-yl)amino]acetic acid
CID 122561099
Methyl 2-{[6-(difluoromethyl)pyrimidin-4-yl]amino}acetate
CID 126850038
Methyl 4-piperidin-4-ylpyrimidine-2-carboxylate;2,2,2-trifluoroacetic acid
CID 177761495
6-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 55262230
6-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 55262231
6-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 63826675
2-[(6-Propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258317
2-[(6-Ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258402
2-[(6-Propan-2-ylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258562
3,3,3-Trifluoro-2-methyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid
CID 79798115
2-[(6-Ethylpyrimidin-4-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798708

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate (CID 55151659) is methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate is COC(=O)CNc1cc(C(C)C)ncn1.
What is the InChIKey of methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate?
The InChIKey is STZNENAVZCKROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2)8-4-9(13-6-12-8)11-5-10(14)15-3/h4,6-7H,5H2,1-3H3,(H,11,12,13).
What are the key properties of methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate?
methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate has a molecular weight of 209.25 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 55151659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).