2,2-dimethyl-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol

C14H24N4O — CID 114632856

IUPAC2,2-dimethyl-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCNc1ncnc(NC2CC(O)C2(C)C)c1C(C)C
InChIInChI=1S/C14H24N4O/c1-8(2)11-12(15-5)16-7-17-13(11)18-9-6-10(19)14(9,3)4/h7-10,19H,6H2,1-5H3,(H2,15,16,17,18)
InChIKeyPPUYWLVLOSATEZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.21
Rot. Bonds4

About 2,2-dimethyl-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol

2,2-dimethyl-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol (PubChem CID 114632856) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol
PubChem CID114632856
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2,2-dimethyl-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCNc1ncnc(NC2CC(O)C2(C)C)c1C(C)C
InChIInChI=1S/C14H24N4O/c1-8(2)11-12(15-5)16-7-17-13(11)18-9-6-10(19)14(9,3)4/h7-10,19H,6H2,1-5H3,(H2,15,16,17,18)
InChIKeyPPUYWLVLOSATEZ-UHFFFAOYSA-N
XLogP2.21
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol (CID 114632856) is 2,2-dimethyl-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol is CNc1ncnc(NC2CC(O)C2(C)C)c1C(C)C.
What is the InChIKey of 2,2-dimethyl-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol?
The InChIKey is PPUYWLVLOSATEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-8(2)11-12(15-5)16-7-17-13(11)18-9-6-10(19)14(9,3)4/h7-10,19H,6H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 2,2-dimethyl-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol?
2,2-dimethyl-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol is sourced from PubChem (CID 114632856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).