3-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol

C14H18N4O2 — CID 70914815

IUPAC3-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol
SMILESCOc1cnc(-c2ccccn2)nc1NC(C)CCO
InChIInChI=1S/C14H18N4O2/c1-10(6-8-19)17-14-12(20-2)9-16-13(18-14)11-5-3-4-7-15-11/h3-5,7,9-10,19H,6,8H2,1-2H3,(H,16,17,18)
InChIKeyDMZUNAICTPSQAD-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.73
Rot. Bonds6

About 3-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol

3-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 70914815) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID70914815
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol
SMILESCOc1cnc(-c2ccccn2)nc1NC(C)CCO
InChIInChI=1S/C14H18N4O2/c1-10(6-8-19)17-14-12(20-2)9-16-13(18-14)11-5-3-4-7-15-11/h3-5,7,9-10,19H,6,8H2,1-2H3,(H,16,17,18)
InChIKeyDMZUNAICTPSQAD-UHFFFAOYSA-N
XLogP1.73
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 3-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol (CID 70914815) is 3-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 3-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol is COc1cnc(-c2ccccn2)nc1NC(C)CCO.
What is the InChIKey of 3-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is DMZUNAICTPSQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(6-8-19)17-14-12(20-2)9-16-13(18-14)11-5-3-4-7-15-11/h3-5,7,9-10,19H,6,8H2,1-2H3,(H,16,17,18).
What are the key properties of 3-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol?
3-[(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, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 70914815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).