4-[4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]phenol

C14H15N3O — CID 135975477

IUPAC4-[4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]phenol
SMILESCNc1cc(C2CC2)nc(-c2ccc(O)cc2)n1
InChIInChI=1S/C14H15N3O/c1-15-13-8-12(9-2-3-9)16-14(17-13)10-4-6-11(18)7-5-10/h4-9,18H,2-3H2,1H3,(H,15,16,17)
InChIKeyUVXBQGGTUUUJGE-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.77
Rot. Bonds3

About 4-[4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]phenol

4-[4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]phenol (PubChem CID 135975477) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]phenol
PubChem CID135975477
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-[4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]phenol
SMILESCNc1cc(C2CC2)nc(-c2ccc(O)cc2)n1
InChIInChI=1S/C14H15N3O/c1-15-13-8-12(9-2-3-9)16-14(17-13)10-4-6-11(18)7-5-10/h4-9,18H,2-3H2,1H3,(H,15,16,17)
InChIKeyUVXBQGGTUUUJGE-UHFFFAOYSA-N
XLogP2.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]phenol?
The IUPAC name of 4-[4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]phenol (CID 135975477) is 4-[4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]phenol is CNc1cc(C2CC2)nc(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-[4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]phenol?
The InChIKey is UVXBQGGTUUUJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-15-13-8-12(9-2-3-9)16-14(17-13)10-4-6-11(18)7-5-10/h4-9,18H,2-3H2,1H3,(H,15,16,17).
What are the key properties of 4-[4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]phenol?
4-[4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]phenol has a molecular weight of 241.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]phenol is sourced from PubChem (CID 135975477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).