methyl 4-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoate

C11H17N3O3 — CID 602074

IUPACmethyl 4-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)Nc1ccnc(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c1-7(2)6-8(10(15)17-3)13-9-4-5-12-11(16)14-9/h4-5,7-8H,6H2,1-3H3,(H2,12,13,14,16)
InChIKeyYBYXSNQJJONERR-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.77
Rot. Bonds5

About methyl 4-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoate

methyl 4-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoate (PubChem CID 602074) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoate
PubChem CID602074
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Namemethyl 4-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)Nc1ccnc(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c1-7(2)6-8(10(15)17-3)13-9-4-5-12-11(16)14-9/h4-5,7-8H,6H2,1-3H3,(H2,12,13,14,16)
InChIKeyYBYXSNQJJONERR-UHFFFAOYSA-N
XLogP0.77
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-2-Oxo-pyrimidin-4-yl)-3-methyl-2-aminopentanoic acid
CID 591989
Methyl 2[(1H-2-oxo-4-pyrimidinyl)amino]-isopentanoate
CID 592141
4-[(1-Carboxy-3-methylbutyl)amino]-2(1H)-pyrimidinone
CID 596394
Methyl 3-methyl-2-[(1H-2-oxo-4-pyrimidinyl)amino]-isopantanoate
CID 601942

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoate (CID 602074) is methyl 4-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoate is COC(=O)C(CC(C)C)Nc1ccnc(=O)[nH]1.
What is the InChIKey of methyl 4-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoate?
The InChIKey is YBYXSNQJJONERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(2)6-8(10(15)17-3)13-9-4-5-12-11(16)14-9/h4-5,7-8H,6H2,1-3H3,(H2,12,13,14,16).
What are the key properties of methyl 4-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoate?
methyl 4-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoate has a molecular weight of 239.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoate is sourced from PubChem (CID 602074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).