2-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]acetamide

C16H20N6O — CID 110255911

IUPAC2-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]acetamide
SMILESCc1ccc(Nc2nccc(C3CCN(CC(N)=O)C3)n2)nc1
InChIInChI=1S/C16H20N6O/c1-11-2-3-15(19-8-11)21-16-18-6-4-13(20-16)12-5-7-22(9-12)10-14(17)23/h2-4,6,8,12H,5,7,9-10H2,1H3,(H2,17,23)(H,18,19,20,21)
InChIKeyDVBRMAHMEODREE-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.20
Rot. Bonds5

About 2-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]acetamide

2-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]acetamide (PubChem CID 110255911) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]acetamide
PubChem CID110255911
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name2-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]acetamide
SMILESCc1ccc(Nc2nccc(C3CCN(CC(N)=O)C3)n2)nc1
InChIInChI=1S/C16H20N6O/c1-11-2-3-15(19-8-11)21-16-18-6-4-13(20-16)12-5-7-22(9-12)10-14(17)23/h2-4,6,8,12H,5,7,9-10H2,1H3,(H2,17,23)(H,18,19,20,21)
InChIKeyDVBRMAHMEODREE-UHFFFAOYSA-N
XLogP1.20
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]acetamide (CID 110255911) is 2-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]acetamide is Cc1ccc(Nc2nccc(C3CCN(CC(N)=O)C3)n2)nc1.
What is the InChIKey of 2-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is DVBRMAHMEODREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-11-2-3-15(19-8-11)21-16-18-6-4-13(20-16)12-5-7-22(9-12)10-14(17)23/h2-4,6,8,12H,5,7,9-10H2,1H3,(H2,17,23)(H,18,19,20,21).
What are the key properties of 2-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]acetamide?
2-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 312.38 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 110255911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).