6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine

C13H16N4O — CID 66325049

IUPAC6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCOc1cc(NC(C)c2ccncc2)nc(C)n1
InChIInChI=1S/C13H16N4O/c1-9(11-4-6-14-7-5-11)15-12-8-13(18-3)17-10(2)16-12/h4-9H,1-3H3,(H,15,16,17)
InChIKeyWMGSSSRYCDKRDQ-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.36
Rot. Bonds4

About 6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine

6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine (PubChem CID 66325049) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
PubChem CID66325049
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCOc1cc(NC(C)c2ccncc2)nc(C)n1
InChIInChI=1S/C13H16N4O/c1-9(11-4-6-14-7-5-11)15-12-8-13(18-3)17-10(2)16-12/h4-9H,1-3H3,(H,15,16,17)
InChIKeyWMGSSSRYCDKRDQ-UHFFFAOYSA-N
XLogP2.36
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine (CID 66325049) is 6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine is COc1cc(NC(C)c2ccncc2)nc(C)n1.
What is the InChIKey of 6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is WMGSSSRYCDKRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(11-4-6-14-7-5-11)15-12-8-13(18-3)17-10(2)16-12/h4-9H,1-3H3,(H,15,16,17).
What are the key properties of 6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine?
6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 66325049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).