4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol

C8H13BrN4O — CID 116796030

IUPAC4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol
SMILESCC(O)CCNc1nc(N)cc(Br)n1
InChIInChI=1S/C8H13BrN4O/c1-5(14)2-3-11-8-12-6(9)4-7(10)13-8/h4-5,14H,2-3H2,1H3,(H3,10,11,12,13)
InChIKeyVFJPJDYEHSVXAL-UHFFFAOYSA-N
MW261.12 g/mol
LogP1.00
Rot. Bonds4

About 4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol

4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol (PubChem CID 116796030) has the molecular formula C8H13BrN4O and a molecular weight of 261.12 g/mol. Its IUPAC name is 4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol
PubChem CID116796030
Molecular FormulaC8H13BrN4O
Molecular Weight261.12 g/mol
Exact Mass260.03
IUPAC Name4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol
SMILESCC(O)CCNc1nc(N)cc(Br)n1
InChIInChI=1S/C8H13BrN4O/c1-5(14)2-3-11-8-12-6(9)4-7(10)13-8/h4-5,14H,2-3H2,1H3,(H3,10,11,12,13)
InChIKeyVFJPJDYEHSVXAL-UHFFFAOYSA-N
XLogP1.00
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-Amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 104925423
3-[(6-Bromo-2-propan-2-ylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105648209
3-[(6-Bromo-2-ethylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105648230
3-[(6-Bromo-2-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105648249
3-[(6-Bromo-2-cyclopropylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105648260
3-[(6-Bromo-2-tert-butylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105648295
3-[(6-Bromo-2-propan-2-ylpyrimidin-4-yl)amino]-1,1-difluoropropan-2-ol
CID 105648309
3-[(6-Bromopyrimidin-4-yl)amino]-1,1-difluoropropan-2-ol
CID 105648311
3-[(6-Bromo-2-ethylpyrimidin-4-yl)amino]-1,1-difluoropropan-2-ol
CID 105648328
3-[(6-Bromo-2-methylpyrimidin-4-yl)amino]-1,1-difluoropropan-2-ol
CID 105648348
3-[(6-Bromo-2-cyclopropylpyrimidin-4-yl)amino]-1,1-difluoropropan-2-ol
CID 105648358
3-[(6-Bromo-2-propylpyrimidin-4-yl)amino]-1,1-difluoropropan-2-ol
CID 105648395

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol?
The IUPAC name of 4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol (CID 116796030) is 4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol?
The canonical SMILES for 4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol is CC(O)CCNc1nc(N)cc(Br)n1.
What is the InChIKey of 4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol?
The InChIKey is VFJPJDYEHSVXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4O/c1-5(14)2-3-11-8-12-6(9)4-7(10)13-8/h4-5,14H,2-3H2,1H3,(H3,10,11,12,13).
What are the key properties of 4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol?
4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol has a molecular weight of 261.12 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol is sourced from PubChem (CID 116796030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).