(3R,4R)-3,4-dimethyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-ol

C16H26N4O — CID 72881995

IUPAC(3R,4R)-3,4-dimethyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCc1cc(N2C[C@@H](C)[C@@](C)(O)C2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H26N4O/c1-12-10-20(11-16(12,3)21)14-9-13(2)17-15(18-14)19-7-5-4-6-8-19/h9,12,21H,4-8,10-11H2,1-3H3/t12-,16+/m1/s1
InChIKeyYGMJZIRZQAQMOS-WBMJQRKESA-N
MW290.41 g/mol
LogP1.98
Rot. Bonds2

About (3R,4R)-3,4-dimethyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-ol

(3R,4R)-3,4-dimethyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 72881995) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (3R,4R)-3,4-dimethyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-3,4-dimethyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID72881995
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(3R,4R)-3,4-dimethyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCc1cc(N2C[C@@H](C)[C@@](C)(O)C2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H26N4O/c1-12-10-20(11-16(12,3)21)14-9-13(2)17-15(18-14)19-7-5-4-6-8-19/h9,12,21H,4-8,10-11H2,1-3H3/t12-,16+/m1/s1
InChIKeyYGMJZIRZQAQMOS-WBMJQRKESA-N
XLogP1.98
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-dimethyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-3,4-dimethyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-ol (CID 72881995) is (3R,4R)-3,4-dimethyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-3,4-dimethyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-3,4-dimethyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-ol is Cc1cc(N2C[C@@H](C)[C@@](C)(O)C2)nc(N2CCCCC2)n1.
What is the InChIKey of (3R,4R)-3,4-dimethyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is YGMJZIRZQAQMOS-WBMJQRKESA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-10-20(11-16(12,3)21)14-9-13(2)17-15(18-14)19-7-5-4-6-8-19/h9,12,21H,4-8,10-11H2,1-3H3/t12-,16+/m1/s1.
What are the key properties of (3R,4R)-3,4-dimethyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-ol?
(3R,4R)-3,4-dimethyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 290.41 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dimethyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 72881995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).