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

C13H20N4O2 — CID 115266861

IUPACmethyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]acetate
SMILESCOC(=O)CNc1cc(NCC2CCC2)nc(C)n1
InChIInChI=1S/C13H20N4O2/c1-9-16-11(14-7-10-4-3-5-10)6-12(17-9)15-8-13(18)19-2/h6,10H,3-5,7-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyBCCZKGDSEYQKSR-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.58
Rot. Bonds6

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

methyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]acetate (PubChem CID 115266861) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is methyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]acetate
PubChem CID115266861
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Namemethyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]acetate
SMILESCOC(=O)CNc1cc(NCC2CCC2)nc(C)n1
InChIInChI=1S/C13H20N4O2/c1-9-16-11(14-7-10-4-3-5-10)6-12(17-9)15-8-13(18)19-2/h6,10H,3-5,7-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyBCCZKGDSEYQKSR-UHFFFAOYSA-N
XLogP1.58
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]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-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate
CID 115266860
2-[[6-(cyclohexylmethylamino)-2-methylpyrimidin-4-yl]amino]acetonitrile
CID 115266821
N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326683
3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138429
N-(cyclopropylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732015
methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate
CID 80969747
1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one
CID 115266890
4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138816
4-N-(cyclobutylmethyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80968066
N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 171993956
N-[(4-ethylcyclohexyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66324640
2-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 66326314

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]acetate?
The IUPAC name of methyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]acetate (CID 115266861) is methyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]acetate is COC(=O)CNc1cc(NCC2CCC2)nc(C)n1.
What is the InChIKey of methyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]acetate?
The InChIKey is BCCZKGDSEYQKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-16-11(14-7-10-4-3-5-10)6-12(17-9)15-8-13(18)19-2/h6,10H,3-5,7-8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of methyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]acetate?
methyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]acetate has a molecular weight of 264.33 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 115266861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).