(7R)-2,7-dimethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C9H12N2O — CID 137002107

IUPAC(7R)-2,7-dimethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CC[C@H]2C
InChIInChI=1S/C9H12N2O/c1-5-3-4-7-8(5)10-6(2)11-9(7)12/h5H,3-4H2,1-2H3,(H,10,11,12)/t5-/m1/s1
InChIKeyFMFXIZACHFYRAD-RXMQYKEDSA-N
MW164.21 g/mol
LogP1.13
Rot. Bonds

About (7R)-2,7-dimethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

(7R)-2,7-dimethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 137002107) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (7R)-2,7-dimethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name(7R)-2,7-dimethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID137002107
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(7R)-2,7-dimethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CC[C@H]2C
InChIInChI=1S/C9H12N2O/c1-5-3-4-7-8(5)10-6(2)11-9(7)12/h5H,3-4H2,1-2H3,(H,10,11,12)/t5-/m1/s1
InChIKeyFMFXIZACHFYRAD-RXMQYKEDSA-N
XLogP1.13
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R)-2,7-dimethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of (7R)-2,7-dimethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 137002107) is (7R)-2,7-dimethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for (7R)-2,7-dimethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for (7R)-2,7-dimethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CC[C@H]2C.
What is the InChIKey of (7R)-2,7-dimethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is FMFXIZACHFYRAD-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H12N2O/c1-5-3-4-7-8(5)10-6(2)11-9(7)12/h5H,3-4H2,1-2H3,(H,10,11,12)/t5-/m1/s1.
What are the key properties of (7R)-2,7-dimethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
(7R)-2,7-dimethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 164.21 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2,7-dimethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 137002107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).