3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol

C12H20N4O — CID 80855861

IUPAC3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
SMILESCCNc1ncnc(NCC2CC(O)C2)c1C
InChIInChI=1S/C12H20N4O/c1-3-13-11-8(2)12(16-7-15-11)14-6-9-4-10(17)5-9/h7,9-10,17H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyNUUCUHYWHUSYOR-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.40
Rot. Bonds5

About 3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol

3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 80855861) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
PubChem CID80855861
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
SMILESCCNc1ncnc(NCC2CC(O)C2)c1C
InChIInChI=1S/C12H20N4O/c1-3-13-11-8(2)12(16-7-15-11)14-6-9-4-10(17)5-9/h7,9-10,17H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyNUUCUHYWHUSYOR-UHFFFAOYSA-N
XLogP1.40
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80855486
3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 80922260
3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66006827
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856004
3-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80855633
3-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106138103
N-[(4-ethylcyclohexyl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80902835
4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80841234
4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80791299
3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66005488
4-N-(3,4-dimethylcyclohexyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80840348
4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148469

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol (CID 80855861) is 3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol is CCNc1ncnc(NCC2CC(O)C2)c1C.
What is the InChIKey of 3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The InChIKey is NUUCUHYWHUSYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-13-11-8(2)12(16-7-15-11)14-6-9-4-10(17)5-9/h7,9-10,17H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol has a molecular weight of 236.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80855861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).