[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone

C13H18N4O — CID 125146588

IUPAC[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone
SMILESNC[C@H]1CCCN1C(=O)c1ccnc(C2CC2)n1
InChIInChI=1S/C13H18N4O/c14-8-10-2-1-7-17(10)13(18)11-5-6-15-12(16-11)9-3-4-9/h5-6,9-10H,1-4,7-8,14H2/t10-/m1/s1
InChIKeyMAXSTJKTZXZDED-SNVBAGLBSA-N
MW246.31 g/mol
LogP0.92
Rot. Bonds3

About [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone

[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone (PubChem CID 125146588) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone
PubChem CID125146588
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone
SMILESNC[C@H]1CCCN1C(=O)c1ccnc(C2CC2)n1
InChIInChI=1S/C13H18N4O/c14-8-10-2-1-7-17(10)13(18)11-5-6-15-12(16-11)9-3-4-9/h5-6,9-10H,1-4,7-8,14H2/t10-/m1/s1
InChIKeyMAXSTJKTZXZDED-SNVBAGLBSA-N
XLogP0.92
TPSA72.11 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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone?
The IUPAC name of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone (CID 125146588) is [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone?
The canonical SMILES for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone is NC[C@H]1CCCN1C(=O)c1ccnc(C2CC2)n1.
What is the InChIKey of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone?
The InChIKey is MAXSTJKTZXZDED-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N4O/c14-8-10-2-1-7-17(10)13(18)11-5-6-15-12(16-11)9-3-4-9/h5-6,9-10H,1-4,7-8,14H2/t10-/m1/s1.
What are the key properties of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone?
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone has a molecular weight of 246.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone is sourced from PubChem (CID 125146588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).