3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol

C11H18N4O — CID 80856561

IUPAC3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
SMILESCCNc1nccc(NCC2CC(O)C2)n1
InChIInChI=1S/C11H18N4O/c1-2-12-11-13-4-3-10(15-11)14-7-8-5-9(16)6-8/h3-4,8-9,16H,2,5-7H2,1H3,(H2,12,13,14,15)
InChIKeyOSVJDOHBGRZEKL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.09
Rot. Bonds5

About 3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol

3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 80856561) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
PubChem CID80856561
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
SMILESCCNc1nccc(NCC2CC(O)C2)n1
InChIInChI=1S/C11H18N4O/c1-2-12-11-13-4-3-10(15-11)14-7-8-5-9(16)6-8/h3-4,8-9,16H,2,5-7H2,1H3,(H2,12,13,14,15)
InChIKeyOSVJDOHBGRZEKL-UHFFFAOYSA-N
XLogP1.09
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

3-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80855633
4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 81046330
N-cyclopropyl-2-[[2-(ethylamino)pyrimidin-4-yl]amino]acetamide
CID 80793366
3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 80832734
1-[[2-(ethylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779056
4-N-[(4-ethylcyclohexyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80818859
3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80959795
2-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine
CID 95138074
N-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80849792
3-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106137892
[1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457191
2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855731

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol (CID 80856561) is 3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol is CCNc1nccc(NCC2CC(O)C2)n1.
What is the InChIKey of 3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The InChIKey is OSVJDOHBGRZEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-12-11-13-4-3-10(15-11)14-7-8-5-9(16)6-8/h3-4,8-9,16H,2,5-7H2,1H3,(H2,12,13,14,15).
What are the key properties of 3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol has a molecular weight of 222.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80856561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).