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

C13H21N3O3 — CID 136958679

IUPACmethyl 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate
SMILESCCc1nc(NC(CC(C)C)C(=O)OC)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O3/c1-5-10-15-11(7-12(17)16-10)14-9(6-8(2)3)13(18)19-4/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17)
InChIKeyMMYZILSYUKBCNX-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.33
Rot. Bonds6

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

methyl 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate (PubChem CID 136958679) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate
PubChem CID136958679
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate
SMILESCCc1nc(NC(CC(C)C)C(=O)OC)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O3/c1-5-10-15-11(7-12(17)16-10)14-9(6-8(2)3)13(18)19-4/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17)
InChIKeyMMYZILSYUKBCNX-UHFFFAOYSA-N
XLogP1.33
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate 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 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate (CID 136958679) is methyl 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate is CCc1nc(NC(CC(C)C)C(=O)OC)cc(=O)[nH]1.
What is the InChIKey of methyl 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate?
The InChIKey is MMYZILSYUKBCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-10-15-11(7-12(17)16-10)14-9(6-8(2)3)13(18)19-4/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17).
What are the key properties of methyl 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate?
methyl 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate has a molecular weight of 267.33 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate is sourced from PubChem (CID 136958679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).