(3R,4R)-3,4-dimethyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-ol

C14H21N3O — CID 72888864

IUPAC(3R,4R)-3,4-dimethyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESCc1nc2c(c(N3C[C@@H](C)[C@@](C)(O)C3)n1)CCC2
InChIInChI=1S/C14H21N3O/c1-9-7-17(8-14(9,3)18)13-11-5-4-6-12(11)15-10(2)16-13/h9,18H,4-8H2,1-3H3/t9-,14+/m1/s1
InChIKeyTVVOPDWGAGILEW-OTYXRUKQSA-N
MW247.34 g/mol
LogP1.48
Rot. Bonds1

About (3R,4R)-3,4-dimethyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-ol

(3R,4R)-3,4-dimethyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 72888864) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (3R,4R)-3,4-dimethyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-3,4-dimethyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID72888864
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(3R,4R)-3,4-dimethyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESCc1nc2c(c(N3C[C@@H](C)[C@@](C)(O)C3)n1)CCC2
InChIInChI=1S/C14H21N3O/c1-9-7-17(8-14(9,3)18)13-11-5-4-6-12(11)15-10(2)16-13/h9,18H,4-8H2,1-3H3/t9-,14+/m1/s1
InChIKeyTVVOPDWGAGILEW-OTYXRUKQSA-N
XLogP1.48
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-dimethyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-3,4-dimethyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-ol (CID 72888864) is (3R,4R)-3,4-dimethyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-3,4-dimethyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-3,4-dimethyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-ol is Cc1nc2c(c(N3C[C@@H](C)[C@@](C)(O)C3)n1)CCC2.
What is the InChIKey of (3R,4R)-3,4-dimethyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is TVVOPDWGAGILEW-OTYXRUKQSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-7-17(8-14(9,3)18)13-11-5-4-6-12(11)15-10(2)16-13/h9,18H,4-8H2,1-3H3/t9-,14+/m1/s1.
What are the key properties of (3R,4R)-3,4-dimethyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-ol?
(3R,4R)-3,4-dimethyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 247.34 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dimethyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 72888864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).