4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol

C12H20BrN3O — CID 106149277

IUPAC4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCCc1nc(Br)cc(NCC(C)(C)CCO)n1
InChIInChI=1S/C12H20BrN3O/c1-4-10-15-9(13)7-11(16-10)14-8-12(2,3)5-6-17/h7,17H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyMLDXBYHQXSDVON-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.62
Rot. Bonds6

About 4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol

4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 106149277) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
PubChem CID106149277
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCCc1nc(Br)cc(NCC(C)(C)CCO)n1
InChIInChI=1S/C12H20BrN3O/c1-4-10-15-9(13)7-11(16-10)14-8-12(2,3)5-6-17/h7,17H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyMLDXBYHQXSDVON-UHFFFAOYSA-N
XLogP2.62
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 114177404
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366433
4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106150254
6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine
CID 126976268
4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149856
4-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149725
4-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149272
4-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149886
6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102907356
4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149768
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149850
6-bromo-2-ethyl-N-[(1-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 114095094

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol (CID 106149277) is 4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol is CCc1nc(Br)cc(NCC(C)(C)CCO)n1.
What is the InChIKey of 4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is MLDXBYHQXSDVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-4-10-15-9(13)7-11(16-10)14-8-12(2,3)5-6-17/h7,17H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of 4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 302.22 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106149277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).