1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrrolidin-2-one

C15H22N6O — CID 53318921

IUPAC1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrrolidin-2-one
SMILESN[C@H]1CN(c2cc(NC3CC3)ncn2)C[C@@H]1N1CCCC1=O
InChIInChI=1S/C15H22N6O/c16-11-7-20(8-12(11)21-5-1-2-15(21)22)14-6-13(17-9-18-14)19-10-3-4-10/h6,9-12H,1-5,7-8,16H2,(H,17,18,19)/t11-,12-/m0/s1
InChIKeyLHPVKAQXRWDGKP-RYUDHWBXSA-N
MW302.38 g/mol
LogP0.19
Rot. Bonds4

About 1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrrolidin-2-one

1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrrolidin-2-one (PubChem CID 53318921) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrrolidin-2-one
PubChem CID53318921
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrrolidin-2-one
SMILESN[C@H]1CN(c2cc(NC3CC3)ncn2)C[C@@H]1N1CCCC1=O
InChIInChI=1S/C15H22N6O/c16-11-7-20(8-12(11)21-5-1-2-15(21)22)14-6-13(17-9-18-14)19-10-3-4-10/h6,9-12H,1-5,7-8,16H2,(H,17,18,19)/t11-,12-/m0/s1
InChIKeyLHPVKAQXRWDGKP-RYUDHWBXSA-N
XLogP0.19
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrrolidin-2-one (CID 53318921) is 1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrrolidin-2-one is N[C@H]1CN(c2cc(NC3CC3)ncn2)C[C@@H]1N1CCCC1=O.
What is the InChIKey of 1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrrolidin-2-one?
The InChIKey is LHPVKAQXRWDGKP-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H22N6O/c16-11-7-20(8-12(11)21-5-1-2-15(21)22)14-6-13(17-9-18-14)19-10-3-4-10/h6,9-12H,1-5,7-8,16H2,(H,17,18,19)/t11-,12-/m0/s1.
What are the key properties of 1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrrolidin-2-one?
1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrrolidin-2-one has a molecular weight of 302.38 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 53318921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).