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

C16H24N6O — CID 53318987

IUPAC1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
SMILESN[C@H]1CN(c2cc(NC3CC3)ncn2)C[C@@H]1N1CCCCC1=O
InChIInChI=1S/C16H24N6O/c17-12-8-21(9-13(12)22-6-2-1-3-16(22)23)15-7-14(18-10-19-15)20-11-4-5-11/h7,10-13H,1-6,8-9,17H2,(H,18,19,20)/t12-,13-/m0/s1
InChIKeyFWCJGYLNPZAQHS-STQMWFEESA-N
MW316.41 g/mol
LogP0.58
Rot. Bonds4

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

1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one (PubChem CID 53318987) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
PubChem CID53318987
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
SMILESN[C@H]1CN(c2cc(NC3CC3)ncn2)C[C@@H]1N1CCCCC1=O
InChIInChI=1S/C16H24N6O/c17-12-8-21(9-13(12)22-6-2-1-3-16(22)23)15-7-14(18-10-19-15)20-11-4-5-11/h7,10-13H,1-6,8-9,17H2,(H,18,19,20)/t12-,13-/m0/s1
InChIKeyFWCJGYLNPZAQHS-STQMWFEESA-N
XLogP0.58
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one?
The IUPAC name of 1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one (CID 53318987) is 1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one.
What is the SMILES notation for 1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one?
The canonical SMILES for 1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one is N[C@H]1CN(c2cc(NC3CC3)ncn2)C[C@@H]1N1CCCCC1=O.
What is the InChIKey of 1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one?
The InChIKey is FWCJGYLNPZAQHS-STQMWFEESA-N. The full InChI is InChI=1S/C16H24N6O/c17-12-8-21(9-13(12)22-6-2-1-3-16(22)23)15-7-14(18-10-19-15)20-11-4-5-11/h7,10-13H,1-6,8-9,17H2,(H,18,19,20)/t12-,13-/m0/s1.
What are the key properties of 1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one?
1-[(3S,4S)-4-amino-1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one has a molecular weight of 316.41 g/mol, XLogP of 0.58, 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]piperidin-2-one is sourced from PubChem (CID 53318987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).