N-[1-[4-[2-[2-(ethylamino)pyrimidin-4-yl]ethynyl]phenyl]propan-2-yl]acetamide

C19H22N4O — CID 66635496

IUPACN-[1-[4-[2-[2-(ethylamino)pyrimidin-4-yl]ethynyl]phenyl]propan-2-yl]acetamide
SMILESCCNc1nccc(C#Cc2ccc(CC(C)NC(C)=O)cc2)n1
InChIInChI=1S/C19H22N4O/c1-4-20-19-21-12-11-18(23-19)10-9-16-5-7-17(8-6-16)13-14(2)22-15(3)24/h5-8,11-12,14H,4,13H2,1-3H3,(H,22,24)(H,20,21,23)
InChIKeyRYYALNQBOYMTLC-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.38
Rot. Bonds5

About N-[1-[4-[2-[2-(ethylamino)pyrimidin-4-yl]ethynyl]phenyl]propan-2-yl]acetamide

N-[1-[4-[2-[2-(ethylamino)pyrimidin-4-yl]ethynyl]phenyl]propan-2-yl]acetamide (PubChem CID 66635496) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[1-[4-[2-[2-(ethylamino)pyrimidin-4-yl]ethynyl]phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[2-[2-(ethylamino)pyrimidin-4-yl]ethynyl]phenyl]propan-2-yl]acetamide
PubChem CID66635496
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[1-[4-[2-[2-(ethylamino)pyrimidin-4-yl]ethynyl]phenyl]propan-2-yl]acetamide
SMILESCCNc1nccc(C#Cc2ccc(CC(C)NC(C)=O)cc2)n1
InChIInChI=1S/C19H22N4O/c1-4-20-19-21-12-11-18(23-19)10-9-16-5-7-17(8-6-16)13-14(2)22-15(3)24/h5-8,11-12,14H,4,13H2,1-3H3,(H,22,24)(H,20,21,23)
InChIKeyRYYALNQBOYMTLC-UHFFFAOYSA-N
XLogP2.38
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[1-[4-[2-[2-(ethylamino)pyrimidin-4-yl]ethynyl]phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[1-[4-[2-[2-(ethylamino)pyrimidin-4-yl]ethynyl]phenyl]propan-2-yl]acetamide (CID 66635496) is N-[1-[4-[2-[2-(ethylamino)pyrimidin-4-yl]ethynyl]phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-[2-[2-(ethylamino)pyrimidin-4-yl]ethynyl]phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-[2-[2-(ethylamino)pyrimidin-4-yl]ethynyl]phenyl]propan-2-yl]acetamide is CCNc1nccc(C#Cc2ccc(CC(C)NC(C)=O)cc2)n1.
What is the InChIKey of N-[1-[4-[2-[2-(ethylamino)pyrimidin-4-yl]ethynyl]phenyl]propan-2-yl]acetamide?
The InChIKey is RYYALNQBOYMTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-4-20-19-21-12-11-18(23-19)10-9-16-5-7-17(8-6-16)13-14(2)22-15(3)24/h5-8,11-12,14H,4,13H2,1-3H3,(H,22,24)(H,20,21,23).
What are the key properties of N-[1-[4-[2-[2-(ethylamino)pyrimidin-4-yl]ethynyl]phenyl]propan-2-yl]acetamide?
N-[1-[4-[2-[2-(ethylamino)pyrimidin-4-yl]ethynyl]phenyl]propan-2-yl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-[2-(ethylamino)pyrimidin-4-yl]ethynyl]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 66635496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).