2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide

C24H33N7O2 — CID 24768430

IUPAC2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
SMILESCCN(CC)[C@H]1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)C1
InChIInChI=1S/C24H33N7O2/c1-6-30(7-2)19-10-11-29(14-19)15-23(32)25-21-13-22(31-17(4)12-16(3)28-31)27-24(26-21)20-9-8-18(5)33-20/h8-9,12-13,19H,6-7,10-11,14-15H2,1-5H3,(H,25,26,27,32)/t19-/m0/s1
InChIKeyRZWNFRXLFHITKC-IBGZPJMESA-N
MW451.58 g/mol
LogP3.20
Rot. Bonds8

About 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide

2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide (PubChem CID 24768430) has the molecular formula C24H33N7O2 and a molecular weight of 451.58 g/mol. Its IUPAC name is 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
PubChem CID24768430
Molecular FormulaC24H33N7O2
Molecular Weight451.58 g/mol
Exact Mass451.27
IUPAC Name2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
SMILESCCN(CC)[C@H]1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)C1
InChIInChI=1S/C24H33N7O2/c1-6-30(7-2)19-10-11-29(14-19)15-23(32)25-21-13-22(31-17(4)12-16(3)28-31)27-24(26-21)20-9-8-18(5)33-20/h8-9,12-13,19H,6-7,10-11,14-15H2,1-5H3,(H,25,26,27,32)/t19-/m0/s1
InChIKeyRZWNFRXLFHITKC-IBGZPJMESA-N
XLogP3.20
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide (CID 24768430) is 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide is CCN(CC)[C@H]1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)C1.
What is the InChIKey of 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide?
The InChIKey is RZWNFRXLFHITKC-IBGZPJMESA-N. The full InChI is InChI=1S/C24H33N7O2/c1-6-30(7-2)19-10-11-29(14-19)15-23(32)25-21-13-22(31-17(4)12-16(3)28-31)27-24(26-21)20-9-8-18(5)33-20/h8-9,12-13,19H,6-7,10-11,14-15H2,1-5H3,(H,25,26,27,32)/t19-/m0/s1.
What are the key properties of 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide?
2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide has a molecular weight of 451.58 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 24768430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).