3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]-2,2-dimethylpropan-1-ol

C12H19N3O2 — CID 122536483

IUPAC3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COc1nc(N)nc2c1CCC2
InChIInChI=1S/C12H19N3O2/c1-12(2,6-16)7-17-10-8-4-3-5-9(8)14-11(13)15-10/h16H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyXMHWEFSRKGEIKU-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.94
Rot. Bonds4

About 3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]-2,2-dimethylpropan-1-ol

3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]-2,2-dimethylpropan-1-ol (PubChem CID 122536483) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]-2,2-dimethylpropan-1-ol
PubChem CID122536483
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COc1nc(N)nc2c1CCC2
InChIInChI=1S/C12H19N3O2/c1-12(2,6-16)7-17-10-8-4-3-5-9(8)14-11(13)15-10/h16H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyXMHWEFSRKGEIKU-UHFFFAOYSA-N
XLogP0.94
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]-2,2-dimethylpropan-1-ol (CID 122536483) is 3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]-2,2-dimethylpropan-1-ol is CC(C)(CO)COc1nc(N)nc2c1CCC2.
What is the InChIKey of 3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]-2,2-dimethylpropan-1-ol?
The InChIKey is XMHWEFSRKGEIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,6-16)7-17-10-8-4-3-5-9(8)14-11(13)15-10/h16H,3-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]-2,2-dimethylpropan-1-ol?
3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]-2,2-dimethylpropan-1-ol has a molecular weight of 237.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 122536483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).