[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol

C21H35N5O — CID 70706922

IUPAC[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCc1nc(N2CCCC2)nc(N2C[C@@H](CN3CCCCC3)[C@@H](CO)C2)c1C
InChIInChI=1S/C21H35N5O/c1-16-17(2)22-21(25-10-6-7-11-25)23-20(16)26-13-18(19(14-26)15-27)12-24-8-4-3-5-9-24/h18-19,27H,3-15H2,1-2H3/t18-,19-/m1/s1
InChIKeyDJJMBOGKCHMPHF-RTBURBONSA-N
MW373.55 g/mol
LogP2.22
Rot. Bonds5

About [(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol

[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 70706922) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is [(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID70706922
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCc1nc(N2CCCC2)nc(N2C[C@@H](CN3CCCCC3)[C@@H](CO)C2)c1C
InChIInChI=1S/C21H35N5O/c1-16-17(2)22-21(25-10-6-7-11-25)23-20(16)26-13-18(19(14-26)15-27)12-24-8-4-3-5-9-24/h18-19,27H,3-15H2,1-2H3/t18-,19-/m1/s1
InChIKeyDJJMBOGKCHMPHF-RTBURBONSA-N
XLogP2.22
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol 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 [(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol (CID 70706922) is [(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol is Cc1nc(N2CCCC2)nc(N2C[C@@H](CN3CCCCC3)[C@@H](CO)C2)c1C.
What is the InChIKey of [(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is DJJMBOGKCHMPHF-RTBURBONSA-N. The full InChI is InChI=1S/C21H35N5O/c1-16-17(2)22-21(25-10-6-7-11-25)23-20(16)26-13-18(19(14-26)15-27)12-24-8-4-3-5-9-24/h18-19,27H,3-15H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of [(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 373.55 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70706922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).