1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol

C7H11BrN4O — CID 116795491

IUPAC1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol
SMILESCC(O)CNc1nc(N)cc(Br)n1
InChIInChI=1S/C7H11BrN4O/c1-4(13)3-10-7-11-5(8)2-6(9)12-7/h2,4,13H,3H2,1H3,(H3,9,10,11,12)
InChIKeyJJDXYEVTLKYFKY-UHFFFAOYSA-N
MW247.10 g/mol
LogP0.61
Rot. Bonds3

About 1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol

1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol (PubChem CID 116795491) has the molecular formula C7H11BrN4O and a molecular weight of 247.10 g/mol. Its IUPAC name is 1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol
PubChem CID116795491
Molecular FormulaC7H11BrN4O
Molecular Weight247.10 g/mol
Exact Mass246.01
IUPAC Name1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol
SMILESCC(O)CNc1nc(N)cc(Br)n1
InChIInChI=1S/C7H11BrN4O/c1-4(13)3-10-7-11-5(8)2-6(9)12-7/h2,4,13H,3H2,1H3,(H3,9,10,11,12)
InChIKeyJJDXYEVTLKYFKY-UHFFFAOYSA-N
XLogP0.61
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-Amino-6-fluoropyrimidin-4-yl)amino]ethanol
CID 3776070
6-Bromo-2-ethoxypyrimidin-4-amine
CID 72206852
3-[(6-Amino-2-ethylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 104918976
3-[(6-Bromo-2-propan-2-ylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105648209
3-[(6-Bromopyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105648210
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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol (CID 116795491) is 1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol is CC(O)CNc1nc(N)cc(Br)n1.
What is the InChIKey of 1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol?
The InChIKey is JJDXYEVTLKYFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4O/c1-4(13)3-10-7-11-5(8)2-6(9)12-7/h2,4,13H,3H2,1H3,(H3,9,10,11,12).
What are the key properties of 1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol?
1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol has a molecular weight of 247.10 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 116795491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).