2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide

C15H18N6O — CID 95842902

IUPAC2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1CCC[C@H]1c1ccnc(Nc2ccccn2)n1
InChIInChI=1S/C15H18N6O/c16-13(22)10-21-9-3-4-12(21)11-6-8-18-15(19-11)20-14-5-1-2-7-17-14/h1-2,5-8,12H,3-4,9-10H2,(H2,16,22)(H,17,18,19,20)/t12-/m0/s1
InChIKeyXTUIZJJFOASCQL-LBPRGKRZSA-N
MW298.35 g/mol
LogP1.24
Rot. Bonds5

About 2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide

2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide (PubChem CID 95842902) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide
PubChem CID95842902
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1CCC[C@H]1c1ccnc(Nc2ccccn2)n1
InChIInChI=1S/C15H18N6O/c16-13(22)10-21-9-3-4-12(21)11-6-8-18-15(19-11)20-14-5-1-2-7-17-14/h1-2,5-8,12H,3-4,9-10H2,(H2,16,22)(H,17,18,19,20)/t12-/m0/s1
InChIKeyXTUIZJJFOASCQL-LBPRGKRZSA-N
XLogP1.24
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide (CID 95842902) is 2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide is NC(=O)CN1CCC[C@H]1c1ccnc(Nc2ccccn2)n1.
What is the InChIKey of 2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is XTUIZJJFOASCQL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N6O/c16-13(22)10-21-9-3-4-12(21)11-6-8-18-15(19-11)20-14-5-1-2-7-17-14/h1-2,5-8,12H,3-4,9-10H2,(H2,16,22)(H,17,18,19,20)/t12-/m0/s1.
What are the key properties of 2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide?
2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 298.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95842902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).