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

C18H15N5 — CID 58072968

IUPAC5-[2-[4-methyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCc1ccc(-c2ncnc(C)c2C#Cc2ccc(N)nc2)cn1
InChIInChI=1S/C18H15N5/c1-12-3-6-15(10-20-12)18-16(13(2)22-11-23-18)7-4-14-5-8-17(19)21-9-14/h3,5-6,8-11H,1-2H3,(H2,19,21)
InChIKeyQTMNAWOUZWEJCO-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.53
Rot. Bonds1

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

5-[2-[4-methyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine (PubChem CID 58072968) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-[2-[4-methyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[4-methyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine
PubChem CID58072968
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name5-[2-[4-methyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCc1ccc(-c2ncnc(C)c2C#Cc2ccc(N)nc2)cn1
InChIInChI=1S/C18H15N5/c1-12-3-6-15(10-20-12)18-16(13(2)22-11-23-18)7-4-14-5-8-17(19)21-9-14/h3,5-6,8-11H,1-2H3,(H2,19,21)
InChIKeyQTMNAWOUZWEJCO-UHFFFAOYSA-N
XLogP2.53
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine?
The IUPAC name of 5-[2-[4-methyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine (CID 58072968) is 5-[2-[4-methyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[4-methyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine?
The canonical SMILES for 5-[2-[4-methyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine is Cc1ccc(-c2ncnc(C)c2C#Cc2ccc(N)nc2)cn1.
What is the InChIKey of 5-[2-[4-methyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine?
The InChIKey is QTMNAWOUZWEJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-12-3-6-15(10-20-12)18-16(13(2)22-11-23-18)7-4-14-5-8-17(19)21-9-14/h3,5-6,8-11H,1-2H3,(H2,19,21).
What are the key properties of 5-[2-[4-methyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine?
5-[2-[4-methyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine has a molecular weight of 301.35 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-methyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine is sourced from PubChem (CID 58072968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).