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

C11H17N3O3 — CID 136956434

IUPACmethyl 4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N3O3/c1-7(2)4-8(11(16)17-3)14-9-5-10(15)13-6-12-9/h5-8H,4H2,1-3H3,(H2,12,13,14,15)
InChIKeyJZJYZCSOQIIPRV-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.77
Rot. Bonds5

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

methyl 4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate (PubChem CID 136956434) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is methyl 4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
PubChem CID136956434
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Namemethyl 4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N3O3/c1-7(2)4-8(11(16)17-3)14-9-5-10(15)13-6-12-9/h5-8H,4H2,1-3H3,(H2,12,13,14,15)
InChIKeyJZJYZCSOQIIPRV-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

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

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Related Compounds

methyl 4-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
CID 136956433
methyl 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoate
CID 136956435
methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate
CID 136956436
methyl 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoate
CID 136956438
2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958466
2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958471
methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoate
CID 136958666
3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958670
methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate
CID 136958676
methyl 4-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoate
CID 136958677
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate
CID 136958678
methyl 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate
CID 136958679

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate (CID 136956434) is methyl 4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate is COC(=O)C(CC(C)C)Nc1cc(=O)[nH]cn1.
What is the InChIKey of methyl 4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate?
The InChIKey is JZJYZCSOQIIPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(2)4-8(11(16)17-3)14-9-5-10(15)13-6-12-9/h5-8H,4H2,1-3H3,(H2,12,13,14,15).
What are the key properties of methyl 4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate?
methyl 4-methyl-2-[(6-oxo-1H-pyrimidin-4-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-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate is sourced from PubChem (CID 136956434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).