N-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide

C11H16N4O — CID 164639400

IUPACN-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(c2cc(C)ncn2)C1
InChIInChI=1S/C11H16N4O/c1-8-5-11(13-7-12-8)15-4-3-10(6-15)14-9(2)16/h5,7,10H,3-4,6H2,1-2H3,(H,14,16)/t10-/m0/s1
InChIKeyPORUEVMPEYLOGR-JTQLQIEISA-N
MW220.28 g/mol
LogP0.50
Rot. Bonds2

About N-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide

N-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide (PubChem CID 164639400) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
PubChem CID164639400
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(c2cc(C)ncn2)C1
InChIInChI=1S/C11H16N4O/c1-8-5-11(13-7-12-8)15-4-3-10(6-15)14-9(2)16/h5,7,10H,3-4,6H2,1-2H3,(H,14,16)/t10-/m0/s1
InChIKeyPORUEVMPEYLOGR-JTQLQIEISA-N
XLogP0.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide (CID 164639400) is N-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CCN(c2cc(C)ncn2)C1.
What is the InChIKey of N-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is PORUEVMPEYLOGR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-5-11(13-7-12-8)15-4-3-10(6-15)14-9(2)16/h5,7,10H,3-4,6H2,1-2H3,(H,14,16)/t10-/m0/s1.
What are the key properties of N-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
N-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 220.28 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 164639400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).