5-[2-[4-ethyl-6-(6-methoxy-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine

C19H17N5O — CID 58072692

IUPAC5-[2-[4-ethyl-6-(6-methoxy-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCCc1ncnc(-c2ccc(OC)nc2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C19H17N5O/c1-3-16-15(7-4-13-5-8-17(20)21-10-13)19(24-12-23-16)14-6-9-18(25-2)22-11-14/h5-6,8-12H,3H2,1-2H3,(H2,20,21)
InChIKeyUGRYTNHMXIKZQP-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.49
Rot. Bonds3

About 5-[2-[4-ethyl-6-(6-methoxy-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine

5-[2-[4-ethyl-6-(6-methoxy-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine (PubChem CID 58072692) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[2-[4-ethyl-6-(6-methoxy-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[4-ethyl-6-(6-methoxy-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine
PubChem CID58072692
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name5-[2-[4-ethyl-6-(6-methoxy-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCCc1ncnc(-c2ccc(OC)nc2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C19H17N5O/c1-3-16-15(7-4-13-5-8-17(20)21-10-13)19(24-12-23-16)14-6-9-18(25-2)22-11-14/h5-6,8-12H,3H2,1-2H3,(H2,20,21)
InChIKeyUGRYTNHMXIKZQP-UHFFFAOYSA-N
XLogP2.49
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-ethyl-6-(6-methoxy-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine?
The IUPAC name of 5-[2-[4-ethyl-6-(6-methoxy-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine (CID 58072692) is 5-[2-[4-ethyl-6-(6-methoxy-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[4-ethyl-6-(6-methoxy-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine?
The canonical SMILES for 5-[2-[4-ethyl-6-(6-methoxy-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine is CCc1ncnc(-c2ccc(OC)nc2)c1C#Cc1ccc(N)nc1.
What is the InChIKey of 5-[2-[4-ethyl-6-(6-methoxy-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine?
The InChIKey is UGRYTNHMXIKZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-3-16-15(7-4-13-5-8-17(20)21-10-13)19(24-12-23-16)14-6-9-18(25-2)22-11-14/h5-6,8-12H,3H2,1-2H3,(H2,20,21).
What are the key properties of 5-[2-[4-ethyl-6-(6-methoxy-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine?
5-[2-[4-ethyl-6-(6-methoxy-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine has a molecular weight of 331.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-ethyl-6-(6-methoxy-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine is sourced from PubChem (CID 58072692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).