N-[4-(5-ethoxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine

C18H19N5O — CID 118249439

IUPACN-[4-(5-ethoxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine
SMILESCCOc1cc(-c2ccnc(Nc3ccnc(C)n3)c2)cnc1C
InChIInChI=1S/C18H19N5O/c1-4-24-16-9-15(11-21-12(16)2)14-5-7-20-18(10-14)23-17-6-8-19-13(3)22-17/h5-11H,4H2,1-3H3,(H,19,20,22,23)
InChIKeyHOCDTCDJYWSSGA-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.69
Rot. Bonds5

About N-[4-(5-ethoxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine

N-[4-(5-ethoxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine (PubChem CID 118249439) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[4-(5-ethoxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(5-ethoxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine
PubChem CID118249439
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[4-(5-ethoxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine
SMILESCCOc1cc(-c2ccnc(Nc3ccnc(C)n3)c2)cnc1C
InChIInChI=1S/C18H19N5O/c1-4-24-16-9-15(11-21-12(16)2)14-5-7-20-18(10-14)23-17-6-8-19-13(3)22-17/h5-11H,4H2,1-3H3,(H,19,20,22,23)
InChIKeyHOCDTCDJYWSSGA-UHFFFAOYSA-N
XLogP3.69
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-ethoxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[4-(5-ethoxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine (CID 118249439) is N-[4-(5-ethoxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[4-(5-ethoxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[4-(5-ethoxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine is CCOc1cc(-c2ccnc(Nc3ccnc(C)n3)c2)cnc1C.
What is the InChIKey of N-[4-(5-ethoxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine?
The InChIKey is HOCDTCDJYWSSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-4-24-16-9-15(11-21-12(16)2)14-5-7-20-18(10-14)23-17-6-8-19-13(3)22-17/h5-11H,4H2,1-3H3,(H,19,20,22,23).
What are the key properties of N-[4-(5-ethoxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine?
N-[4-(5-ethoxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine has a molecular weight of 321.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-ethoxy-6-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 118249439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).