[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methanone

C20H32N6O — CID 154799598

IUPAC[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methanone
SMILESCc1nc(C(=O)N2CCC3(CN(C)C3)C2)nc(N2CC[C@@H](N(C)C)C2)c1C
InChIInChI=1S/C20H32N6O/c1-14-15(2)21-17(22-18(14)25-8-6-16(10-25)23(3)4)19(27)26-9-7-20(13-26)11-24(5)12-20/h16H,6-13H2,1-5H3/t16-/m1/s1
InChIKeyVWJPGOZPHKSRAS-MRXNPFEDSA-N
MW372.52 g/mol
LogP1.01
Rot. Bonds3

About [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methanone

[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methanone (PubChem CID 154799598) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methanone.

Molecular Properties

Compound Name[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methanone
PubChem CID154799598
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC Name[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methanone
SMILESCc1nc(C(=O)N2CCC3(CN(C)C3)C2)nc(N2CC[C@@H](N(C)C)C2)c1C
InChIInChI=1S/C20H32N6O/c1-14-15(2)21-17(22-18(14)25-8-6-16(10-25)23(3)4)19(27)26-9-7-20(13-26)11-24(5)12-20/h16H,6-13H2,1-5H3/t16-/m1/s1
InChIKeyVWJPGOZPHKSRAS-MRXNPFEDSA-N
XLogP1.01
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methanone 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 [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methanone?
The IUPAC name of [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methanone (CID 154799598) is [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methanone.
What is the SMILES notation for [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methanone?
The canonical SMILES for [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methanone is Cc1nc(C(=O)N2CCC3(CN(C)C3)C2)nc(N2CC[C@@H](N(C)C)C2)c1C.
What is the InChIKey of [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methanone?
The InChIKey is VWJPGOZPHKSRAS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H32N6O/c1-14-15(2)21-17(22-18(14)25-8-6-16(10-25)23(3)4)19(27)26-9-7-20(13-26)11-24(5)12-20/h16H,6-13H2,1-5H3/t16-/m1/s1.
What are the key properties of [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methanone?
[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methanone has a molecular weight of 372.52 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methanone is sourced from PubChem (CID 154799598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).