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

C14H23N3O3 — CID 136958677

IUPACmethyl 4-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)Nc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H23N3O3/c1-8(2)6-10(14(19)20-5)15-11-7-12(18)17-13(16-11)9(3)4/h7-10H,6H2,1-5H3,(H2,15,16,17,18)
InChIKeySCYRXVRFQZIFTJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.89
Rot. Bonds6

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

methyl 4-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoate (PubChem CID 136958677) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 4-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoate
PubChem CID136958677
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Namemethyl 4-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)Nc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H23N3O3/c1-8(2)6-10(14(19)20-5)15-11-7-12(18)17-13(16-11)9(3)4/h7-10H,6H2,1-5H3,(H2,15,16,17,18)
InChIKeySCYRXVRFQZIFTJ-UHFFFAOYSA-N
XLogP1.89
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-2-[(6-oxo-2-propan-2-yl-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 4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
CID 136956434
methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate
CID 136956436
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958433
2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958467
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958472
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958473
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958475
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoate
CID 136958667
3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958671
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 136958672
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 136958675

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoate (CID 136958677) is methyl 4-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoate is COC(=O)C(CC(C)C)Nc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of methyl 4-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoate?
The InChIKey is SCYRXVRFQZIFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-8(2)6-10(14(19)20-5)15-11-7-12(18)17-13(16-11)9(3)4/h7-10H,6H2,1-5H3,(H2,15,16,17,18).
What are the key properties of methyl 4-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoate?
methyl 4-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoate has a molecular weight of 281.36 g/mol, XLogP of 1.89, 6 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-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoate is sourced from PubChem (CID 136958677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).