N-[6-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-yl]acetamide;N-(6-trimethylstannylpyrimidin-4-yl)acetamide

C28H33N7O2Sn — CID 175600655

IUPACN-[6-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-yl]acetamide;N-(6-trimethylstannylpyrimidin-4-yl)acetamide
SMILESCC(=O)Nc1cc(Cc2ccc3ncc(C4CC4)cc3c2)ncn1.CC(=O)Nc1cc([Sn](C)(C)C)ncn1
InChIInChI=1S/C19H18N4O.C6H6N3O.3CH3.Sn/c1-12(24)23-19-9-17(21-11-22-19)7-13-2-5-18-15(6-13)8-16(10-20-18)14-3-4-14;1-5(10)9-6-2-3-7-4-8-6;;;;/h2,5-6,8-11,14H,3-4,7H2,1H3,(H,21,22,23,24);2,4H,1H3,(H,7,8,9,10);3*1H3;
InChIKeyMNZFLLDXZRUFFG-UHFFFAOYSA-N
MW618.33 g/mol
LogP4.43
Rot. Bonds6

About N-[6-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-yl]acetamide;N-(6-trimethylstannylpyrimidin-4-yl)acetamide

N-[6-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-yl]acetamide;N-(6-trimethylstannylpyrimidin-4-yl)acetamide (PubChem CID 175600655) has the molecular formula C28H33N7O2Sn and a molecular weight of 618.33 g/mol. Its IUPAC name is N-[6-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-yl]acetamide;N-(6-trimethylstannylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[6-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-yl]acetamide;N-(6-trimethylstannylpyrimidin-4-yl)acetamide
PubChem CID175600655
Molecular FormulaC28H33N7O2Sn
Molecular Weight618.33 g/mol
Exact Mass619.17
IUPAC NameN-[6-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-yl]acetamide;N-(6-trimethylstannylpyrimidin-4-yl)acetamide
SMILESCC(=O)Nc1cc(Cc2ccc3ncc(C4CC4)cc3c2)ncn1.CC(=O)Nc1cc([Sn](C)(C)C)ncn1
InChIInChI=1S/C19H18N4O.C6H6N3O.3CH3.Sn/c1-12(24)23-19-9-17(21-11-22-19)7-13-2-5-18-15(6-13)8-16(10-20-18)14-3-4-14;1-5(10)9-6-2-3-7-4-8-6;;;;/h2,5-6,8-11,14H,3-4,7H2,1H3,(H,21,22,23,24);2,4H,1H3,(H,7,8,9,10);3*1H3;
InChIKeyMNZFLLDXZRUFFG-UHFFFAOYSA-N
XLogP4.43
TPSA122.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.33
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-yl]acetamide;N-(6-trimethylstannylpyrimidin-4-yl)acetamide?
The IUPAC name of N-[6-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-yl]acetamide;N-(6-trimethylstannylpyrimidin-4-yl)acetamide (CID 175600655) is N-[6-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-yl]acetamide;N-(6-trimethylstannylpyrimidin-4-yl)acetamide.
What is the SMILES notation for N-[6-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-yl]acetamide;N-(6-trimethylstannylpyrimidin-4-yl)acetamide?
The canonical SMILES for N-[6-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-yl]acetamide;N-(6-trimethylstannylpyrimidin-4-yl)acetamide is CC(=O)Nc1cc(Cc2ccc3ncc(C4CC4)cc3c2)ncn1.CC(=O)Nc1cc([Sn](C)(C)C)ncn1.
What is the InChIKey of N-[6-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-yl]acetamide;N-(6-trimethylstannylpyrimidin-4-yl)acetamide?
The InChIKey is MNZFLLDXZRUFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O.C6H6N3O.3CH3.Sn/c1-12(24)23-19-9-17(21-11-22-19)7-13-2-5-18-15(6-13)8-16(10-20-18)14-3-4-14;1-5(10)9-6-2-3-7-4-8-6;;;;/h2,5-6,8-11,14H,3-4,7H2,1H3,(H,21,22,23,24);2,4H,1H3,(H,7,8,9,10);3*1H3;.
What are the key properties of N-[6-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-yl]acetamide;N-(6-trimethylstannylpyrimidin-4-yl)acetamide?
N-[6-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-yl]acetamide;N-(6-trimethylstannylpyrimidin-4-yl)acetamide has a molecular weight of 618.33 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-yl]acetamide;N-(6-trimethylstannylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 175600655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).