3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol

C12H20N4O2 — CID 114632957

IUPAC3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
SMILESCNc1ncnc(NC2CC(O)C2(C)C)c1OC
InChIInChI=1S/C12H20N4O2/c1-12(2)7(5-8(12)17)16-11-9(18-4)10(13-3)14-6-15-11/h6-8,17H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyHGOLBHXRMXQFOW-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.10
Rot. Bonds4

About 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol

3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114632957) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114632957
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
SMILESCNc1ncnc(NC2CC(O)C2(C)C)c1OC
InChIInChI=1S/C12H20N4O2/c1-12(2)7(5-8(12)17)16-11-9(18-4)10(13-3)14-6-15-11/h6-8,17H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyHGOLBHXRMXQFOW-UHFFFAOYSA-N
XLogP1.10
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol (CID 114632957) is 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol is CNc1ncnc(NC2CC(O)C2(C)C)c1OC.
What is the InChIKey of 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is HGOLBHXRMXQFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2)7(5-8(12)17)16-11-9(18-4)10(13-3)14-6-15-11/h6-8,17H,5H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol?
3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 252.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114632957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).