ethane;2-[(4-methylphenyl)methoxy]pyrimidin-4-amine

C14H19N3O — CID 166473497

IUPACethane;2-[(4-methylphenyl)methoxy]pyrimidin-4-amine
SMILESCC.Cc1ccc(COc2nccc(N)n2)cc1
InChIInChI=1S/C12H13N3O.C2H6/c1-9-2-4-10(5-3-9)8-16-12-14-7-6-11(13)15-12;1-2/h2-7H,8H2,1H3,(H2,13,14,15);1-2H3
InChIKeyIRLBUENCTBBONZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.97
Rot. Bonds3

About ethane;2-[(4-methylphenyl)methoxy]pyrimidin-4-amine

ethane;2-[(4-methylphenyl)methoxy]pyrimidin-4-amine (PubChem CID 166473497) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is ethane;2-[(4-methylphenyl)methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Nameethane;2-[(4-methylphenyl)methoxy]pyrimidin-4-amine
PubChem CID166473497
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Nameethane;2-[(4-methylphenyl)methoxy]pyrimidin-4-amine
SMILESCC.Cc1ccc(COc2nccc(N)n2)cc1
InChIInChI=1S/C12H13N3O.C2H6/c1-9-2-4-10(5-3-9)8-16-12-14-7-6-11(13)15-12;1-2/h2-7H,8H2,1H3,(H2,13,14,15);1-2H3
InChIKeyIRLBUENCTBBONZ-UHFFFAOYSA-N
XLogP2.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[(4-methylphenyl)methoxy]pyrimidin-4-amine?
The IUPAC name of ethane;2-[(4-methylphenyl)methoxy]pyrimidin-4-amine (CID 166473497) is ethane;2-[(4-methylphenyl)methoxy]pyrimidin-4-amine.
What is the SMILES notation for ethane;2-[(4-methylphenyl)methoxy]pyrimidin-4-amine?
The canonical SMILES for ethane;2-[(4-methylphenyl)methoxy]pyrimidin-4-amine is CC.Cc1ccc(COc2nccc(N)n2)cc1.
What is the InChIKey of ethane;2-[(4-methylphenyl)methoxy]pyrimidin-4-amine?
The InChIKey is IRLBUENCTBBONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O.C2H6/c1-9-2-4-10(5-3-9)8-16-12-14-7-6-11(13)15-12;1-2/h2-7H,8H2,1H3,(H2,13,14,15);1-2H3.
What are the key properties of ethane;2-[(4-methylphenyl)methoxy]pyrimidin-4-amine?
ethane;2-[(4-methylphenyl)methoxy]pyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(4-methylphenyl)methoxy]pyrimidin-4-amine is sourced from PubChem (CID 166473497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).