4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol

C9H15BrN4O2 — CID 106248797

IUPAC4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1nc(N)ncc1Br
InChIInChI=1S/C9H15BrN4O2/c1-16-5-6(15)2-3-12-8-7(10)4-13-9(11)14-8/h4,6,15H,2-3,5H2,1H3,(H3,11,12,13,14)
InChIKeyVSIMHPQRNLZDCS-UHFFFAOYSA-N
MW291.15 g/mol
LogP0.63
Rot. Bonds6

About 4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol

4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol (PubChem CID 106248797) has the molecular formula C9H15BrN4O2 and a molecular weight of 291.15 g/mol. Its IUPAC name is 4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol
PubChem CID106248797
Molecular FormulaC9H15BrN4O2
Molecular Weight291.15 g/mol
Exact Mass290.04
IUPAC Name4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1nc(N)ncc1Br
InChIInChI=1S/C9H15BrN4O2/c1-16-5-6(15)2-3-12-8-7(10)4-13-9(11)14-8/h4,6,15H,2-3,5H2,1H3,(H3,11,12,13,14)
InChIKeyVSIMHPQRNLZDCS-UHFFFAOYSA-N
XLogP0.63
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-amino-5-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248716
2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol
CID 80766317
1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80913402
1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159495
4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol
CID 106243050
4-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106249050
4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106243066
4-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-1-methoxybutan-2-ol
CID 106249041
4-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106249039
1-methoxy-4-[(3-methylquinoxalin-2-yl)amino]butan-2-ol
CID 103875708
4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
CID 106248775
4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
CID 106248733

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol (CID 106248797) is 4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol is COCC(O)CCNc1nc(N)ncc1Br.
What is the InChIKey of 4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol?
The InChIKey is VSIMHPQRNLZDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O2/c1-16-5-6(15)2-3-12-8-7(10)4-13-9(11)14-8/h4,6,15H,2-3,5H2,1H3,(H3,11,12,13,14).
What are the key properties of 4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol?
4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol has a molecular weight of 291.15 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106248797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).