2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol

C16H28N4O — CID 114632953

IUPAC2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCCCNc1ncnc(NC2CC(O)C2(C)C)c1CCC
InChIInChI=1S/C16H28N4O/c1-5-7-11-14(17-8-6-2)18-10-19-15(11)20-12-9-13(21)16(12,3)4/h10,12-13,21H,5-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyXLFVPGJKKUMLIO-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.82
Rot. Bonds7

About 2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol

2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol (PubChem CID 114632953) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
PubChem CID114632953
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCCCNc1ncnc(NC2CC(O)C2(C)C)c1CCC
InChIInChI=1S/C16H28N4O/c1-5-7-11-14(17-8-6-2)18-10-19-15(11)20-12-9-13(21)16(12,3)4/h10,12-13,21H,5-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyXLFVPGJKKUMLIO-UHFFFAOYSA-N
XLogP2.82
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol with MolForge

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Related Compounds

2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80800343
2,2-dimethyl-3-[[6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 114632888
3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630405
4-N-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351
4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771825
[1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457178
4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771503
4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80853652
4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80774074
2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 114632933
2,2-dimethyl-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol
CID 114632856
3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114632957

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol (CID 114632953) is 2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol is CCCNc1ncnc(NC2CC(O)C2(C)C)c1CCC.
What is the InChIKey of 2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
The InChIKey is XLFVPGJKKUMLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-7-11-14(17-8-6-2)18-10-19-15(11)20-12-9-13(21)16(12,3)4/h10,12-13,21H,5-9H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol has a molecular weight of 292.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol is sourced from PubChem (CID 114632953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).