3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol

C11H18N4O — CID 80856330

IUPAC3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCCc1c(NC)ncnc1NC1CC(O)C1
InChIInChI=1S/C11H18N4O/c1-3-9-10(12-2)13-6-14-11(9)15-7-4-8(16)5-7/h6-8,16H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyCZEYCEJFMZQJFI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.02
Rot. Bonds4

About 3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol

3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol (PubChem CID 80856330) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
PubChem CID80856330
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCCc1c(NC)ncnc1NC1CC(O)C1
InChIInChI=1S/C11H18N4O/c1-3-9-10(12-2)13-6-14-11(9)15-7-4-8(16)5-7/h6-8,16H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyCZEYCEJFMZQJFI-UHFFFAOYSA-N
XLogP1.02
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol with MolForge

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Related Compounds

5-ethyl-6-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80783931
5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 103065368
4-N-(1,1-dioxothian-4-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80790126
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856004
3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138359
5-ethyl-6-N-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine
CID 80853830
N-(3,5-dimethylcyclohexyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80915420
5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one
CID 80834053
4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine
CID 80770074
N-cyclopropyl-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80932555
6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine
CID 64732155
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826428

Frequently Asked Questions

What is the IUPAC name of 3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
The IUPAC name of 3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol (CID 80856330) is 3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
The canonical SMILES for 3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol is CCc1c(NC)ncnc1NC1CC(O)C1.
What is the InChIKey of 3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
The InChIKey is CZEYCEJFMZQJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-9-10(12-2)13-6-14-11(9)15-7-4-8(16)5-7/h6-8,16H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol has a molecular weight of 222.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol is sourced from PubChem (CID 80856330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).