[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone

C13H19N5O — CID 72844752

IUPAC[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
SMILESCNc1ncc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cn1
InChIInChI=1S/C13H19N5O/c1-15-13-16-4-9(5-17-13)12(19)18-6-10(8-2-3-8)11(14)7-18/h4-5,8,10-11H,2-3,6-7,14H2,1H3,(H,15,16,17)/t10-,11+/m1/s1
InChIKeyIEFYPAJVUXGITE-MNOVXSKESA-N
MW261.33 g/mol
LogP0.33
Rot. Bonds3

About [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone

[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone (PubChem CID 72844752) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
PubChem CID72844752
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
SMILESCNc1ncc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cn1
InChIInChI=1S/C13H19N5O/c1-15-13-16-4-9(5-17-13)12(19)18-6-10(8-2-3-8)11(14)7-18/h4-5,8,10-11H,2-3,6-7,14H2,1H3,(H,15,16,17)/t10-,11+/m1/s1
InChIKeyIEFYPAJVUXGITE-MNOVXSKESA-N
XLogP0.33
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone?
The IUPAC name of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone (CID 72844752) is [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone is CNc1ncc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cn1.
What is the InChIKey of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone?
The InChIKey is IEFYPAJVUXGITE-MNOVXSKESA-N. The full InChI is InChI=1S/C13H19N5O/c1-15-13-16-4-9(5-17-13)12(19)18-6-10(8-2-3-8)11(14)7-18/h4-5,8,10-11H,2-3,6-7,14H2,1H3,(H,15,16,17)/t10-,11+/m1/s1.
What are the key properties of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone?
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone has a molecular weight of 261.33 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 72844752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).