4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]pentanoic acid

C11H17N3O3 — CID 66334158

IUPAC4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]pentanoic acid
SMILESCOc1ncnc(NC(C)CCC(=O)O)c1C
InChIInChI=1S/C11H17N3O3/c1-7(4-5-9(15)16)14-10-8(2)11(17-3)13-6-12-10/h6-7H,4-5H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyPUPWOIRLAVTZLM-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.46
Rot. Bonds6

About 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]pentanoic acid

4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]pentanoic acid (PubChem CID 66334158) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]pentanoic acid
PubChem CID66334158
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]pentanoic acid
SMILESCOc1ncnc(NC(C)CCC(=O)O)c1C
InChIInChI=1S/C11H17N3O3/c1-7(4-5-9(15)16)14-10-8(2)11(17-3)13-6-12-10/h6-7H,4-5H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyPUPWOIRLAVTZLM-UHFFFAOYSA-N
XLogP1.46
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid
CID 66331320
2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide
CID 66327662
5-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 82017186
6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine
CID 66326464
2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 66333366
N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-5-methylpyrimidin-4-amine
CID 66327883
2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]acetamide
CID 66327451
4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 66326883
6-methoxy-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 114182450
5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162116
4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine
CID 114150985
methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 66326146

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]pentanoic acid?
The IUPAC name of 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]pentanoic acid (CID 66334158) is 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]pentanoic acid?
The canonical SMILES for 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]pentanoic acid is COc1ncnc(NC(C)CCC(=O)O)c1C.
What is the InChIKey of 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]pentanoic acid?
The InChIKey is PUPWOIRLAVTZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(4-5-9(15)16)14-10-8(2)11(17-3)13-6-12-10/h6-7H,4-5H2,1-3H3,(H,15,16)(H,12,13,14).
What are the key properties of 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]pentanoic acid?
4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]pentanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 66334158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).