3-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol

C12H20N4O — CID 80855633

IUPAC3-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
SMILESCCNc1ncc(C)c(NCC2CC(O)C2)n1
InChIInChI=1S/C12H20N4O/c1-3-13-12-15-6-8(2)11(16-12)14-7-9-4-10(17)5-9/h6,9-10,17H,3-5,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyBPDCJZJPRPBKFL-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.40
Rot. Bonds5

About 3-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol

3-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 80855633) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
PubChem CID80855633
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
SMILESCCNc1ncc(C)c(NCC2CC(O)C2)n1
InChIInChI=1S/C12H20N4O/c1-3-13-12-15-6-8(2)11(16-12)14-7-9-4-10(17)5-9/h6,9-10,17H,3-5,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyBPDCJZJPRPBKFL-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-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137925
3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80855861
3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80856561
4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80818986
4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80783715
4-N-(3-cyclopentylpropyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 106014954
4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80827960
4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80769091
2-N-ethyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
CID 80840988
2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 114102554
1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 80842921
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol
CID 113498180

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol (CID 80855633) is 3-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol is CCNc1ncc(C)c(NCC2CC(O)C2)n1.
What is the InChIKey of 3-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The InChIKey is BPDCJZJPRPBKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-13-12-15-6-8(2)11(16-12)14-7-9-4-10(17)5-9/h6,9-10,17H,3-5,7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 3-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
3-[[[2-(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-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80855633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).