4-(pyridin-4-ylamino)pyrimidin-5-ol

C9H8N4O — CID 122449210

IUPAC4-(pyridin-4-ylamino)pyrimidin-5-ol
SMILESOc1cncnc1Nc1ccncc1
InChIInChI=1S/C9H8N4O/c14-8-5-11-6-12-9(8)13-7-1-3-10-4-2-7/h1-6,14H,(H,10,11,12,13)
InChIKeyHMRIRFQPHVGJAL-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.32
Rot. Bonds2

About 4-(pyridin-4-ylamino)pyrimidin-5-ol

4-(pyridin-4-ylamino)pyrimidin-5-ol (PubChem CID 122449210) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-(pyridin-4-ylamino)pyrimidin-5-ol.

Molecular Properties

Compound Name4-(pyridin-4-ylamino)pyrimidin-5-ol
PubChem CID122449210
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name4-(pyridin-4-ylamino)pyrimidin-5-ol
SMILESOc1cncnc1Nc1ccncc1
InChIInChI=1S/C9H8N4O/c14-8-5-11-6-12-9(8)13-7-1-3-10-4-2-7/h1-6,14H,(H,10,11,12,13)
InChIKeyHMRIRFQPHVGJAL-UHFFFAOYSA-N
XLogP1.32
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-4-ylamino)pyrimidin-5-ol?
The IUPAC name of 4-(pyridin-4-ylamino)pyrimidin-5-ol (CID 122449210) is 4-(pyridin-4-ylamino)pyrimidin-5-ol.
What is the SMILES notation for 4-(pyridin-4-ylamino)pyrimidin-5-ol?
The canonical SMILES for 4-(pyridin-4-ylamino)pyrimidin-5-ol is Oc1cncnc1Nc1ccncc1.
What is the InChIKey of 4-(pyridin-4-ylamino)pyrimidin-5-ol?
The InChIKey is HMRIRFQPHVGJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c14-8-5-11-6-12-9(8)13-7-1-3-10-4-2-7/h1-6,14H,(H,10,11,12,13).
What are the key properties of 4-(pyridin-4-ylamino)pyrimidin-5-ol?
4-(pyridin-4-ylamino)pyrimidin-5-ol has a molecular weight of 188.19 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-4-ylamino)pyrimidin-5-ol is sourced from PubChem (CID 122449210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).