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

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

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Related Compounds

3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114632957
3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630405
N-(2,2-dimethylcyclopropyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80908900
6-N-methyl-4-N-(4-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772693
2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 114632953
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1-propan-2-ylpyrazin-2-one
CID 114630076
2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol
CID 107855651
2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol
CID 112633171
2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol
CID 107587633
3-[(5-aminopyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114632842
3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630231
2,2-dimethyl-3-[(6-nitroquinazolin-4-yl)amino]cyclobutan-1-ol
CID 114630070

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).