N-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine

C12H14N4O — CID 50970670

IUPACN-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
SMILESCCNc1ccnc(-c2ccc(OC)nc2)n1
InChIInChI=1S/C12H14N4O/c1-3-13-10-6-7-14-12(16-10)9-4-5-11(17-2)15-8-9/h4-8H,3H2,1-2H3,(H,13,14,16)
InChIKeyFQCOJUDZXLYFGG-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.98
Rot. Bonds4

About N-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine

N-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine (PubChem CID 50970670) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
PubChem CID50970670
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
SMILESCCNc1ccnc(-c2ccc(OC)nc2)n1
InChIInChI=1S/C12H14N4O/c1-3-13-10-6-7-14-12(16-10)9-4-5-11(17-2)15-8-9/h4-8H,3H2,1-2H3,(H,13,14,16)
InChIKeyFQCOJUDZXLYFGG-UHFFFAOYSA-N
XLogP1.98
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine (CID 50970670) is N-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine is CCNc1ccnc(-c2ccc(OC)nc2)n1.
What is the InChIKey of N-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is FQCOJUDZXLYFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-3-13-10-6-7-14-12(16-10)9-4-5-11(17-2)15-8-9/h4-8H,3H2,1-2H3,(H,13,14,16).
What are the key properties of N-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine?
N-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 230.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 50970670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).