(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol

C14H15N3O — CID 19874094

IUPAC(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol
SMILESOCc1cc(C2CC2)nc(Nc2ccccc2)n1
InChIInChI=1S/C14H15N3O/c18-9-12-8-13(10-6-7-10)17-14(16-12)15-11-4-2-1-3-5-11/h1-5,8,10,18H,6-7,9H2,(H,15,16,17)
InChIKeyKWORTNPHVKWENH-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.59
Rot. Bonds4

About (2-anilino-6-cyclopropylpyrimidin-4-yl)methanol

(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol (PubChem CID 19874094) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (2-anilino-6-cyclopropylpyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol
PubChem CID19874094
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol
SMILESOCc1cc(C2CC2)nc(Nc2ccccc2)n1
InChIInChI=1S/C14H15N3O/c18-9-12-8-13(10-6-7-10)17-14(16-12)15-11-4-2-1-3-5-11/h1-5,8,10,18H,6-7,9H2,(H,15,16,17)
InChIKeyKWORTNPHVKWENH-UHFFFAOYSA-N
XLogP2.59
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-6-cyclopropylpyrimidin-4-yl)methanol?
The IUPAC name of (2-anilino-6-cyclopropylpyrimidin-4-yl)methanol (CID 19874094) is (2-anilino-6-cyclopropylpyrimidin-4-yl)methanol.
What is the SMILES notation for (2-anilino-6-cyclopropylpyrimidin-4-yl)methanol?
The canonical SMILES for (2-anilino-6-cyclopropylpyrimidin-4-yl)methanol is OCc1cc(C2CC2)nc(Nc2ccccc2)n1.
What is the InChIKey of (2-anilino-6-cyclopropylpyrimidin-4-yl)methanol?
The InChIKey is KWORTNPHVKWENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-9-12-8-13(10-6-7-10)17-14(16-12)15-11-4-2-1-3-5-11/h1-5,8,10,18H,6-7,9H2,(H,15,16,17).
What are the key properties of (2-anilino-6-cyclopropylpyrimidin-4-yl)methanol?
(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol has a molecular weight of 241.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-6-cyclopropylpyrimidin-4-yl)methanol is sourced from PubChem (CID 19874094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).