1-[(3,6-dimethylpyrazin-2-yl)amino]-2-phenylpropan-2-ol

C15H19N3O — CID 133471206

IUPAC1-[(3,6-dimethylpyrazin-2-yl)amino]-2-phenylpropan-2-ol
SMILESCc1cnc(C)c(NCC(C)(O)c2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-11-9-16-12(2)14(18-11)17-10-15(3,19)13-7-5-4-6-8-13/h4-9,19H,10H2,1-3H3,(H,17,18)
InChIKeyULNFIIULBPGGCR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.41
Rot. Bonds4

About 1-[(3,6-dimethylpyrazin-2-yl)amino]-2-phenylpropan-2-ol

1-[(3,6-dimethylpyrazin-2-yl)amino]-2-phenylpropan-2-ol (PubChem CID 133471206) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[(3,6-dimethylpyrazin-2-yl)amino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(3,6-dimethylpyrazin-2-yl)amino]-2-phenylpropan-2-ol
PubChem CID133471206
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[(3,6-dimethylpyrazin-2-yl)amino]-2-phenylpropan-2-ol
SMILESCc1cnc(C)c(NCC(C)(O)c2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-11-9-16-12(2)14(18-11)17-10-15(3,19)13-7-5-4-6-8-13/h4-9,19H,10H2,1-3H3,(H,17,18)
InChIKeyULNFIIULBPGGCR-UHFFFAOYSA-N
XLogP2.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,6-dimethylpyrazin-2-yl)amino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[(3,6-dimethylpyrazin-2-yl)amino]-2-phenylpropan-2-ol (CID 133471206) is 1-[(3,6-dimethylpyrazin-2-yl)amino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[(3,6-dimethylpyrazin-2-yl)amino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[(3,6-dimethylpyrazin-2-yl)amino]-2-phenylpropan-2-ol is Cc1cnc(C)c(NCC(C)(O)c2ccccc2)n1.
What is the InChIKey of 1-[(3,6-dimethylpyrazin-2-yl)amino]-2-phenylpropan-2-ol?
The InChIKey is ULNFIIULBPGGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-9-16-12(2)14(18-11)17-10-15(3,19)13-7-5-4-6-8-13/h4-9,19H,10H2,1-3H3,(H,17,18).
What are the key properties of 1-[(3,6-dimethylpyrazin-2-yl)amino]-2-phenylpropan-2-ol?
1-[(3,6-dimethylpyrazin-2-yl)amino]-2-phenylpropan-2-ol has a molecular weight of 257.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,6-dimethylpyrazin-2-yl)amino]-2-phenylpropan-2-ol is sourced from PubChem (CID 133471206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).