4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol

C11H19BrN4O — CID 106149781

IUPAC4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
SMILESCNc1ncnc(NCC(C)(C)CCO)c1Br
InChIInChI=1S/C11H19BrN4O/c1-11(2,4-5-17)6-14-10-8(12)9(13-3)15-7-16-10/h7,17H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyZCVWASCZEIWZOY-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.10
Rot. Bonds6

About 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol

4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol (PubChem CID 106149781) has the molecular formula C11H19BrN4O and a molecular weight of 303.20 g/mol. Its IUPAC name is 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
PubChem CID106149781
Molecular FormulaC11H19BrN4O
Molecular Weight303.20 g/mol
Exact Mass302.07
IUPAC Name4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
SMILESCNc1ncnc(NCC(C)(C)CCO)c1Br
InChIInChI=1S/C11H19BrN4O/c1-11(2,4-5-17)6-14-10-8(12)9(13-3)15-7-16-10/h7,17H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyZCVWASCZEIWZOY-UHFFFAOYSA-N
XLogP2.10
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol with MolForge

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Related Compounds

4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149754
4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106144661
4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106144830
4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106140711
4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 114150361
ethyl 3-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]propanoate
CID 114072172
4-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149725
5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 103896010
3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280673
5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106149949
3,3-dimethyl-4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)butan-1-ol
CID 133332215
3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrazine-2-carbonitrile
CID 103705283

Frequently Asked Questions

What is the IUPAC name of 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol (CID 106149781) is 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol is CNc1ncnc(NCC(C)(C)CCO)c1Br.
What is the InChIKey of 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
The InChIKey is ZCVWASCZEIWZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O/c1-11(2,4-5-17)6-14-10-8(12)9(13-3)15-7-16-10/h7,17H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol has a molecular weight of 303.20 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106149781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).