methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate

C11H14ClN3O2 — CID 80970316

IUPACmethyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C11H14ClN3O2/c1-6-9(12)14-11(7-3-4-7)15-10(6)13-5-8(16)17-2/h7H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyVNBJRMMGWVYSMR-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.90
Rot. Bonds4

About methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate

methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate (PubChem CID 80970316) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate
PubChem CID80970316
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Namemethyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C11H14ClN3O2/c1-6-9(12)14-11(7-3-4-7)15-10(6)13-5-8(16)17-2/h7H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyVNBJRMMGWVYSMR-UHFFFAOYSA-N
XLogP1.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate with MolForge

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Related Compounds

2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80971282
3-[2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83112926
ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate
CID 80993671
ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80995205
6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 106194712
3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80978642
6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 80971290
methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate
CID 84690746
6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine
CID 113471962
2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 106196538
6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194508
6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414813

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate (CID 80970316) is methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate is COC(=O)CNc1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate?
The InChIKey is VNBJRMMGWVYSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-6-9(12)14-11(7-3-4-7)15-10(6)13-5-8(16)17-2/h7H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate?
methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate has a molecular weight of 255.70 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 80970316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).