2-[(1-phenylcyclopropyl)amino]pyrimidin-5-ol

C13H13N3O — CID 139332383

IUPAC2-[(1-phenylcyclopropyl)amino]pyrimidin-5-ol
SMILESOc1cnc(NC2(c3ccccc3)CC2)nc1
InChIInChI=1S/C13H13N3O/c17-11-8-14-12(15-9-11)16-13(6-7-13)10-4-2-1-3-5-10/h1-5,8-9,17H,6-7H2,(H,14,15,16)
InChIKeyLJFSXGYQNSAAJO-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.28
Rot. Bonds3

About 2-[(1-phenylcyclopropyl)amino]pyrimidin-5-ol

2-[(1-phenylcyclopropyl)amino]pyrimidin-5-ol (PubChem CID 139332383) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[(1-phenylcyclopropyl)amino]pyrimidin-5-ol.

Molecular Properties

Compound Name2-[(1-phenylcyclopropyl)amino]pyrimidin-5-ol
PubChem CID139332383
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-[(1-phenylcyclopropyl)amino]pyrimidin-5-ol
SMILESOc1cnc(NC2(c3ccccc3)CC2)nc1
InChIInChI=1S/C13H13N3O/c17-11-8-14-12(15-9-11)16-13(6-7-13)10-4-2-1-3-5-10/h1-5,8-9,17H,6-7H2,(H,14,15,16)
InChIKeyLJFSXGYQNSAAJO-UHFFFAOYSA-N
XLogP2.28
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylcyclopropyl)amino]pyrimidin-5-ol?
The IUPAC name of 2-[(1-phenylcyclopropyl)amino]pyrimidin-5-ol (CID 139332383) is 2-[(1-phenylcyclopropyl)amino]pyrimidin-5-ol.
What is the SMILES notation for 2-[(1-phenylcyclopropyl)amino]pyrimidin-5-ol?
The canonical SMILES for 2-[(1-phenylcyclopropyl)amino]pyrimidin-5-ol is Oc1cnc(NC2(c3ccccc3)CC2)nc1.
What is the InChIKey of 2-[(1-phenylcyclopropyl)amino]pyrimidin-5-ol?
The InChIKey is LJFSXGYQNSAAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c17-11-8-14-12(15-9-11)16-13(6-7-13)10-4-2-1-3-5-10/h1-5,8-9,17H,6-7H2,(H,14,15,16).
What are the key properties of 2-[(1-phenylcyclopropyl)amino]pyrimidin-5-ol?
2-[(1-phenylcyclopropyl)amino]pyrimidin-5-ol has a molecular weight of 227.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylcyclopropyl)amino]pyrimidin-5-ol is sourced from PubChem (CID 139332383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).