(2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide

C16H26N6O — CID 70710527

IUPAC(2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1c1nc(N2CCCC2)nc(C)c1C
InChIInChI=1S/C16H26N6O/c1-10-11(2)19-16(21-6-4-5-7-21)20-14(10)22-9-12(17)8-13(22)15(23)18-3/h12-13H,4-9,17H2,1-3H3,(H,18,23)/t12-,13+/m1/s1
InChIKeyAFTXPDXSJXIAMR-OLZOCXBDSA-N
MW318.43 g/mol
LogP0.35
Rot. Bonds3

About (2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 70710527) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
PubChem CID70710527
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name(2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1c1nc(N2CCCC2)nc(C)c1C
InChIInChI=1S/C16H26N6O/c1-10-11(2)19-16(21-6-4-5-7-21)20-14(10)22-9-12(17)8-13(22)15(23)18-3/h12-13H,4-9,17H2,1-3H3,(H,18,23)/t12-,13+/m1/s1
InChIKeyAFTXPDXSJXIAMR-OLZOCXBDSA-N
XLogP0.35
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide (CID 70710527) is (2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](N)CN1c1nc(N2CCCC2)nc(C)c1C.
What is the InChIKey of (2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is AFTXPDXSJXIAMR-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H26N6O/c1-10-11(2)19-16(21-6-4-5-7-21)20-14(10)22-9-12(17)8-13(22)15(23)18-3/h12-13H,4-9,17H2,1-3H3,(H,18,23)/t12-,13+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 318.43 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 70710527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).