5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid

C10H15N3O3 — CID 81077805

IUPAC5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid
SMILESCOCCCC(Nc1ccncn1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-16-6-2-3-8(10(14)15)13-9-4-5-11-7-12-9/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)(H,11,12,13)
InChIKeySRWYEHIOBLKBCI-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.77
Rot. Bonds7

About 5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid

5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid (PubChem CID 81077805) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid
PubChem CID81077805
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid
SMILESCOCCCC(Nc1ccncn1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-16-6-2-3-8(10(14)15)13-9-4-5-11-7-12-9/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)(H,11,12,13)
InChIKeySRWYEHIOBLKBCI-UHFFFAOYSA-N
XLogP0.77
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-(pyrazin-2-ylamino)pentanoic acid
CID 81078260
5-methoxy-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 81078957
5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid
CID 81076913
5-methoxy-2-(quinolin-4-ylamino)pentanoic acid
CID 81078422
2-[(6-carbamoyl-2-pyridinyl)amino]-5-methoxypentanoic acid
CID 81077809
5-methoxy-2-(thieno[3,2-d]pyrimidin-4-ylamino)pentanoic acid
CID 81078600
5-methoxy-2-[(2-pyridin-4-ylsulfanylacetyl)amino]pentanoic acid
CID 81077244
5-methoxy-2-(2-pyridin-4-ylethylsulfonylamino)pentanoic acid
CID 81086349
2-[(3,6-dimethylpyrazin-2-yl)amino]-5-methoxypentanoic acid
CID 81078172
5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid
CID 81076986
5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 81082252
5-methoxy-2-[4-(trifluoromethyl)anilino]pentanoic acid
CID 81077709

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid?
The IUPAC name of 5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid (CID 81077805) is 5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid.
What is the SMILES notation for 5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid?
The canonical SMILES for 5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid is COCCCC(Nc1ccncn1)C(=O)O.
What is the InChIKey of 5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid?
The InChIKey is SRWYEHIOBLKBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-16-6-2-3-8(10(14)15)13-9-4-5-11-7-12-9/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid?
5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid is sourced from PubChem (CID 81077805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).