N,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine

C17H23N3O — CID 80664311

IUPACN,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
SMILESCNc1cc(C)nc(COc2cc(C(C)C)ccc2C)n1
InChIInChI=1S/C17H23N3O/c1-11(2)14-7-6-12(3)15(9-14)21-10-17-19-13(4)8-16(18-5)20-17/h6-9,11H,10H2,1-5H3,(H,18,19,20)
InChIKeyXXMZFMARXPPBNM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.84
Rot. Bonds5

About N,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine

N,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine (PubChem CID 80664311) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
PubChem CID80664311
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
SMILESCNc1cc(C)nc(COc2cc(C(C)C)ccc2C)n1
InChIInChI=1S/C17H23N3O/c1-11(2)14-7-6-12(3)15(9-14)21-10-17-19-13(4)8-16(18-5)20-17/h6-9,11H,10H2,1-5H3,(H,18,19,20)
InChIKeyXXMZFMARXPPBNM-UHFFFAOYSA-N
XLogP3.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine (CID 80664311) is N,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine is CNc1cc(C)nc(COc2cc(C(C)C)ccc2C)n1.
What is the InChIKey of N,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine?
The InChIKey is XXMZFMARXPPBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(2)14-7-6-12(3)15(9-14)21-10-17-19-13(4)8-16(18-5)20-17/h6-9,11H,10H2,1-5H3,(H,18,19,20).
What are the key properties of N,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine?
N,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80664311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).