methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate

C12H20N4O2 — CID 80987605

IUPACmethyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C12H20N4O2/c1-6(2)10-15-9(13)7(3)11(16-10)14-8(4)12(17)18-5/h6,8H,1-5H3,(H3,13,14,15,16)
InChIKeyNFBWZUJREKVUGJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.46
Rot. Bonds4

About methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate

methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate (PubChem CID 80987605) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
PubChem CID80987605
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Namemethyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C12H20N4O2/c1-6(2)10-15-9(13)7(3)11(16-10)14-8(4)12(17)18-5/h6,8H,1-5H3,(H3,13,14,15,16)
InChIKeyNFBWZUJREKVUGJ-UHFFFAOYSA-N
XLogP1.46
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate with MolForge

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Related Compounds

2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106347539
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide
CID 80788095
2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 80969834
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80993947
3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80983114
4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976699
ethyl 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanoate
CID 80984350
methyl (2R)-2-[(6-bromo-3-nitro-2-pyridinyl)amino]propanoate
CID 149218444
4-N-(3-methoxy-2-methylpropyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982439
5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80994228
methyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate
CID 80811791
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 80991783

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate (CID 80987605) is methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate is COC(=O)C(C)Nc1nc(C(C)C)nc(N)c1C.
What is the InChIKey of methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate?
The InChIKey is NFBWZUJREKVUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-6(2)10-15-9(13)7(3)11(16-10)14-8(4)12(17)18-5/h6,8H,1-5H3,(H3,13,14,15,16).
What are the key properties of methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate?
methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate has a molecular weight of 252.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 80987605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).