N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-4,5,6-trimethylpyrimidin-2-amine

C16H22N4O — CID 163311507

IUPACN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-4,5,6-trimethylpyrimidin-2-amine
SMILESCOc1nc(C)cc(C)c1CNc1nc(C)c(C)c(C)n1
InChIInChI=1S/C16H22N4O/c1-9-7-10(2)18-15(21-6)14(9)8-17-16-19-12(4)11(3)13(5)20-16/h7H,8H2,1-6H3,(H,17,19,20)
InChIKeyFTCLBAVDORWYTR-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.03
Rot. Bonds4

About N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-4,5,6-trimethylpyrimidin-2-amine

N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-4,5,6-trimethylpyrimidin-2-amine (PubChem CID 163311507) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-4,5,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-4,5,6-trimethylpyrimidin-2-amine
PubChem CID163311507
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-4,5,6-trimethylpyrimidin-2-amine
SMILESCOc1nc(C)cc(C)c1CNc1nc(C)c(C)c(C)n1
InChIInChI=1S/C16H22N4O/c1-9-7-10(2)18-15(21-6)14(9)8-17-16-19-12(4)11(3)13(5)20-16/h7H,8H2,1-6H3,(H,17,19,20)
InChIKeyFTCLBAVDORWYTR-UHFFFAOYSA-N
XLogP3.03
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-4,5,6-trimethylpyrimidin-2-amine?
The IUPAC name of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-4,5,6-trimethylpyrimidin-2-amine (CID 163311507) is N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-4,5,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-4,5,6-trimethylpyrimidin-2-amine?
The canonical SMILES for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-4,5,6-trimethylpyrimidin-2-amine is COc1nc(C)cc(C)c1CNc1nc(C)c(C)c(C)n1.
What is the InChIKey of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-4,5,6-trimethylpyrimidin-2-amine?
The InChIKey is FTCLBAVDORWYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-9-7-10(2)18-15(21-6)14(9)8-17-16-19-12(4)11(3)13(5)20-16/h7H,8H2,1-6H3,(H,17,19,20).
What are the key properties of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-4,5,6-trimethylpyrimidin-2-amine?
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-4,5,6-trimethylpyrimidin-2-amine has a molecular weight of 286.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-4,5,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 163311507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).