methyl (2S)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutanoate

C12H19N3O3 — CID 851070

IUPACmethyl (2S)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutanoate
SMILESCOC(=O)C(Nc1nc(C)cc(OC)n1)C(C)C
InChIInChI=1S/C12H19N3O3/c1-7(2)10(11(16)18-5)15-12-13-8(3)6-9(14-12)17-4/h6-7,10H,1-5H3,(H,13,14,15)
InChIKeyGTTOHVQOQKQYEG-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.40
Rot. Bonds5

About methyl (2S)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutanoate

methyl (2S)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutanoate (PubChem CID 851070) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl (2S)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutanoate
PubChem CID851070
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl (2S)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutanoate
SMILESCOC(=O)C(Nc1nc(C)cc(OC)n1)C(C)C
InChIInChI=1S/C12H19N3O3/c1-7(2)10(11(16)18-5)15-12-13-8(3)6-9(14-12)17-4/h6-7,10H,1-5H3,(H,13,14,15)
InChIKeyGTTOHVQOQKQYEG-UHFFFAOYSA-N
XLogP1.40
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Pyrimidinamine, 4-methyl-N-(1-methylethyl)-6-(2-methylpropoxy)-
CID 56843735
4-(3-Methyl-propoxy)-2-isopropylamino-6-methyl pyrimidine
CID 58336918
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823316
2-(6-Methyl-4-methoxypyrimidin-2-ylamino)ethyl acetate
CID 12139401
2-(4-Methoxy-6-methyl-pyrimidin-2-ylamino)ethanol
CID 94830500
4-methoxy-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-amine
CID 104854517
2-[(4-Methoxy-6-methylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 112634552
3,3,3-Trifluoro-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid
CID 112634574
4-methoxy-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine
CID 112691716
N-[2-(2,2-difluoroethoxy)ethyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 113772931
3,3,3-Trifluoro-2-methyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoic acid
CID 115973174
Methyl 2-[(4-methoxy-6-methyl-2-pyrimidinyl)amino]-3-methylbutanoate
CID 5075575

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutanoate?
The IUPAC name of methyl (2S)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutanoate (CID 851070) is methyl (2S)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl (2S)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutanoate?
The canonical SMILES for methyl (2S)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutanoate is COC(=O)C(Nc1nc(C)cc(OC)n1)C(C)C.
What is the InChIKey of methyl (2S)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutanoate?
The InChIKey is GTTOHVQOQKQYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7(2)10(11(16)18-5)15-12-13-8(3)6-9(14-12)17-4/h6-7,10H,1-5H3,(H,13,14,15).
What are the key properties of methyl (2S)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutanoate?
methyl (2S)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutanoate has a molecular weight of 253.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutanoate is sourced from PubChem (CID 851070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).