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

C13H18N4O — CID 97146633

IUPACN-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C13H18N4O/c1-9(18)16-11-4-5-17(7-11)13-6-12(10-2-3-10)14-8-15-13/h6,8,10-11H,2-5,7H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyAJSKJIFXYKPDRQ-NSHDSACASA-N
MW246.31 g/mol
LogP1.07
Rot. Bonds3

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

N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide (PubChem CID 97146633) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
PubChem CID97146633
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C13H18N4O/c1-9(18)16-11-4-5-17(7-11)13-6-12(10-2-3-10)14-8-15-13/h6,8,10-11H,2-5,7H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyAJSKJIFXYKPDRQ-NSHDSACASA-N
XLogP1.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.07
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-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide (CID 97146633) is N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CCN(c2cc(C3CC3)ncn2)C1.
What is the InChIKey of N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is AJSKJIFXYKPDRQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(18)16-11-4-5-17(7-11)13-6-12(10-2-3-10)14-8-15-13/h6,8,10-11H,2-5,7H2,1H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 246.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 97146633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).