3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol

C15H26N4O — CID 80959795

IUPAC3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
SMILESCCNc1cc(NCC2CC(O)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H26N4O/c1-5-16-12-8-13(17-9-10-6-11(20)7-10)19-14(18-12)15(2,3)4/h8,10-11,20H,5-7,9H2,1-4H3,(H2,16,17,18,19)
InChIKeyGLJGBQKXTOCICW-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.39
Rot. Bonds5

About 3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol

3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 80959795) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
PubChem CID80959795
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
SMILESCCNc1cc(NCC2CC(O)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H26N4O/c1-5-16-12-8-13(17-9-10-6-11(20)7-10)19-14(18-12)15(2,3)4/h8,10-11,20H,5-7,9H2,1-4H3,(H2,16,17,18,19)
InChIKeyGLJGBQKXTOCICW-UHFFFAOYSA-N
XLogP2.39
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80960076
3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80949592
2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine
CID 80958191
3-[[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80959366
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80958635
4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138643
3-[[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137938
3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80856561
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine
CID 80964314
3-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
CID 102718808
4-[(3-hydroxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956893

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol (CID 80959795) is 3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol is CCNc1cc(NCC2CC(O)C2)nc(C(C)(C)C)n1.
What is the InChIKey of 3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The InChIKey is GLJGBQKXTOCICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-16-12-8-13(17-9-10-6-11(20)7-10)19-14(18-12)15(2,3)4/h8,10-11,20H,5-7,9H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80959795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).