N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-3-(1-methylimidazol-2-yl)propanamide

C18H27N7O2 — CID 146113439

IUPACN-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-3-(1-methylimidazol-2-yl)propanamide
SMILESCO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NC(=O)CCc1nccn1C
InChIInChI=1S/C18H27N7O2/c1-23(2)18-20-8-7-16(22-18)25-11-13(14(12-25)27-4)21-17(26)6-5-15-19-9-10-24(15)3/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,21,26)/t13-,14+/m0/s1
InChIKeySGBCFWFODKNHAC-UONOGXRCSA-N
MW373.46 g/mol
LogP0.23
Rot. Bonds7

About N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-3-(1-methylimidazol-2-yl)propanamide

N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-3-(1-methylimidazol-2-yl)propanamide (PubChem CID 146113439) has the molecular formula C18H27N7O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-3-(1-methylimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-3-(1-methylimidazol-2-yl)propanamide
PubChem CID146113439
Molecular FormulaC18H27N7O2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC NameN-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-3-(1-methylimidazol-2-yl)propanamide
SMILESCO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NC(=O)CCc1nccn1C
InChIInChI=1S/C18H27N7O2/c1-23(2)18-20-8-7-16(22-18)25-11-13(14(12-25)27-4)21-17(26)6-5-15-19-9-10-24(15)3/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,21,26)/t13-,14+/m0/s1
InChIKeySGBCFWFODKNHAC-UONOGXRCSA-N
XLogP0.23
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-3-(1-methylimidazol-2-yl)propanamide?
The IUPAC name of N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-3-(1-methylimidazol-2-yl)propanamide (CID 146113439) is N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-3-(1-methylimidazol-2-yl)propanamide.
What is the SMILES notation for N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-3-(1-methylimidazol-2-yl)propanamide?
The canonical SMILES for N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-3-(1-methylimidazol-2-yl)propanamide is CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NC(=O)CCc1nccn1C.
What is the InChIKey of N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-3-(1-methylimidazol-2-yl)propanamide?
The InChIKey is SGBCFWFODKNHAC-UONOGXRCSA-N. The full InChI is InChI=1S/C18H27N7O2/c1-23(2)18-20-8-7-16(22-18)25-11-13(14(12-25)27-4)21-17(26)6-5-15-19-9-10-24(15)3/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,21,26)/t13-,14+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-3-(1-methylimidazol-2-yl)propanamide?
N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-3-(1-methylimidazol-2-yl)propanamide has a molecular weight of 373.46 g/mol, XLogP of 0.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-3-(1-methylimidazol-2-yl)propanamide is sourced from PubChem (CID 146113439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).