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

C10H15N3O2 — CID 61240139

IUPACmethyl 2-[(6-propylpyrimidin-4-yl)amino]acetate
SMILESCCCc1cc(NCC(=O)OC)ncn1
InChIInChI=1S/C10H15N3O2/c1-3-4-8-5-9(13-7-12-8)11-6-10(14)15-2/h5,7H,3-4,6H2,1-2H3,(H,11,12,13)
InChIKeyDBKULCRXDNZGCI-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.01
Rot. Bonds5

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

methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate (PubChem CID 61240139) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-propylpyrimidin-4-yl)amino]acetate
PubChem CID61240139
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 2-[(6-propylpyrimidin-4-yl)amino]acetate
SMILESCCCc1cc(NCC(=O)OC)ncn1
InChIInChI=1S/C10H15N3O2/c1-3-4-8-5-9(13-7-12-8)11-6-10(14)15-2/h5,7H,3-4,6H2,1-2H3,(H,11,12,13)
InChIKeyDBKULCRXDNZGCI-UHFFFAOYSA-N
XLogP1.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-2-[(6-propylpyrimidin-4-yl)amino]acetamide
CID 61240529
methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate
CID 55151659
N-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine
CID 104762532
methyl 2-[(6-propylpyridazin-3-yl)amino]acetate
CID 116971973
2-[(6-ethylpyrimidin-4-yl)amino]acetic acid
CID 61236041
N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
CID 61241880
N-(cyclobutylmethyl)-6-propylpyrimidin-4-amine
CID 61241873
1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433253
methyl 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate
CID 115264956
N-(2-methylbutyl)-6-propylpyrimidin-4-amine
CID 62694370
2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol
CID 114155486
methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate
CID 115264955

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate (CID 61240139) is methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate is CCCc1cc(NCC(=O)OC)ncn1.
What is the InChIKey of methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate?
The InChIKey is DBKULCRXDNZGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-4-8-5-9(13-7-12-8)11-6-10(14)15-2/h5,7H,3-4,6H2,1-2H3,(H,11,12,13).
What are the key properties of methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate?
methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate has a molecular weight of 209.25 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 61240139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).