N-[[3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]acetamide

C14H20N6O — CID 46837764

IUPACN-[[3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1(N)CCN(c2ncnc3[nH]cc(C)c23)C1
InChIInChI=1S/C14H20N6O/c1-9-5-16-12-11(9)13(19-8-18-12)20-4-3-14(15,7-20)6-17-10(2)21/h5,8H,3-4,6-7,15H2,1-2H3,(H,17,21)(H,16,18,19)
InChIKeyJHGYMHRYBDBXOU-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.31
Rot. Bonds3

About N-[[3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]acetamide

N-[[3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 46837764) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[[3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID46837764
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-[[3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1(N)CCN(c2ncnc3[nH]cc(C)c23)C1
InChIInChI=1S/C14H20N6O/c1-9-5-16-12-11(9)13(19-8-18-12)20-4-3-14(15,7-20)6-17-10(2)21/h5,8H,3-4,6-7,15H2,1-2H3,(H,17,21)(H,16,18,19)
InChIKeyJHGYMHRYBDBXOU-UHFFFAOYSA-N
XLogP0.31
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]acetamide (CID 46837764) is N-[[3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]acetamide is CC(=O)NCC1(N)CCN(c2ncnc3[nH]cc(C)c23)C1.
What is the InChIKey of N-[[3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is JHGYMHRYBDBXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-9-5-16-12-11(9)13(19-8-18-12)20-4-3-14(15,7-20)6-17-10(2)21/h5,8H,3-4,6-7,15H2,1-2H3,(H,17,21)(H,16,18,19).
What are the key properties of N-[[3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
N-[[3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 46837764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).