methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate

C12H18ClN3O2 — CID 80658262

IUPACmethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(Cc1nc(C)cc(Cl)n1)C(C)C
InChIInChI=1S/C12H18ClN3O2/c1-8(2)16(7-12(17)18-4)6-11-14-9(3)5-10(13)15-11/h5,8H,6-7H2,1-4H3
InChIKeyKFOKKPNCTFEPRZ-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.82
Rot. Bonds5

About methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate

methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate (PubChem CID 80658262) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate
PubChem CID80658262
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Namemethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(Cc1nc(C)cc(Cl)n1)C(C)C
InChIInChI=1S/C12H18ClN3O2/c1-8(2)16(7-12(17)18-4)6-11-14-9(3)5-10(13)15-11/h5,8H,6-7H2,1-4H3
InChIKeyKFOKKPNCTFEPRZ-UHFFFAOYSA-N
XLogP1.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate
CID 80656944
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine
CID 82951094
methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 79047597
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine
CID 80664465
methyl 2-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]acetate
CID 102794690
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632134
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 80663277
methyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate
CID 83029917
methyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate
CID 62025875
methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-propan-2-ylamino]acetate
CID 102662967
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]acetamide
CID 103101700
ethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-cyclopropylamino]acetate
CID 80656819

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate (CID 80658262) is methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate is COC(=O)CN(Cc1nc(C)cc(Cl)n1)C(C)C.
What is the InChIKey of methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate?
The InChIKey is KFOKKPNCTFEPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-8(2)16(7-12(17)18-4)6-11-14-9(3)5-10(13)15-11/h5,8H,6-7H2,1-4H3.
What are the key properties of methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate?
methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate has a molecular weight of 271.75 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate is sourced from PubChem (CID 80658262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).