4-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol

C14H18N4O2 — CID 70684600

IUPAC4-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol
SMILESCOc1cnc(-c2ccccn2)nc1NCCCCO
InChIInChI=1S/C14H18N4O2/c1-20-12-10-17-13(11-6-2-3-7-15-11)18-14(12)16-8-4-5-9-19/h2-3,6-7,10,19H,4-5,8-9H2,1H3,(H,16,17,18)
InChIKeyQQONEVBVUDOWOC-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.73
Rot. Bonds7

About 4-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol

4-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 70684600) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID70684600
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol
SMILESCOc1cnc(-c2ccccn2)nc1NCCCCO
InChIInChI=1S/C14H18N4O2/c1-20-12-10-17-13(11-6-2-3-7-15-11)18-14(12)16-8-4-5-9-19/h2-3,6-7,10,19H,4-5,8-9H2,1H3,(H,16,17,18)
InChIKeyQQONEVBVUDOWOC-UHFFFAOYSA-N
XLogP1.73
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 4-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol (CID 70684600) is 4-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol is COc1cnc(-c2ccccn2)nc1NCCCCO.
What is the InChIKey of 4-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is QQONEVBVUDOWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-12-10-17-13(11-6-2-3-7-15-11)18-14(12)16-8-4-5-9-19/h2-3,6-7,10,19H,4-5,8-9H2,1H3,(H,16,17,18).
What are the key properties of 4-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol?
4-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 274.32 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 70684600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).