1-[(5-bromopyrimidin-2-yl)amino]-3-methoxypropan-2-ol

C8H12BrN3O2 — CID 56791638

IUPAC1-[(5-bromopyrimidin-2-yl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ncc(Br)cn1
InChIInChI=1S/C8H12BrN3O2/c1-14-5-7(13)4-12-8-10-2-6(9)3-11-8/h2-3,7,13H,4-5H2,1H3,(H,10,11,12)
InChIKeyXQMFWDZFYUJPOW-UHFFFAOYSA-N
MW262.11 g/mol
LogP0.66
Rot. Bonds5

About 1-[(5-bromopyrimidin-2-yl)amino]-3-methoxypropan-2-ol

1-[(5-bromopyrimidin-2-yl)amino]-3-methoxypropan-2-ol (PubChem CID 56791638) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 1-[(5-bromopyrimidin-2-yl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(5-bromopyrimidin-2-yl)amino]-3-methoxypropan-2-ol
PubChem CID56791638
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name1-[(5-bromopyrimidin-2-yl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ncc(Br)cn1
InChIInChI=1S/C8H12BrN3O2/c1-14-5-7(13)4-12-8-10-2-6(9)3-11-8/h2-3,7,13H,4-5H2,1H3,(H,10,11,12)
InChIKeyXQMFWDZFYUJPOW-UHFFFAOYSA-N
XLogP0.66
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-((5-Bromopyrimidin-2-yl)oxy)ethan-1-ol
CID 63868414
(2S)-3-[(5-bromopyrimidin-2-yl)-(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 71973612
5-bromo-N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine
CID 71996252
3-[(5-Bromopyrimidin-2-yl)oxy]propan-1-amine hydrochloride
CID 166000452
2-[(5-Bromopyrimidin-2-yl)-methylamino]ethanol
CID 11651560
(s)-(4-(5-Bromopyrimidin-2-yl)morpholin-2-yl)methanol
CID 129887934
1-((5-Bromopyrimidin-2-yl)(methyl)amino)propan-2-ol
CID 63873219
3-[[5-Bromo-4-(methylamino)pyrimidin-2-yl]amino]-2-methylpropan-1-ol
CID 86802992
(2S)-4-[(5-bromopyrimidin-2-yl)-methylamino]butan-2-ol
CID 97575936
5-bromo-2-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
CID 126805552
rac-(3S,4S)-4-methoxy-1-{[2-(propylamino)pyrimidin-5-yl]methyl}pyrrolidin-3-ol
CID 129611971
5-bromo-N-[3-[(3S)-oxolan-3-yl]oxypropyl]pyrimidin-2-amine
CID 164640282

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromopyrimidin-2-yl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(5-bromopyrimidin-2-yl)amino]-3-methoxypropan-2-ol (CID 56791638) is 1-[(5-bromopyrimidin-2-yl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(5-bromopyrimidin-2-yl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(5-bromopyrimidin-2-yl)amino]-3-methoxypropan-2-ol is COCC(O)CNc1ncc(Br)cn1.
What is the InChIKey of 1-[(5-bromopyrimidin-2-yl)amino]-3-methoxypropan-2-ol?
The InChIKey is XQMFWDZFYUJPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c1-14-5-7(13)4-12-8-10-2-6(9)3-11-8/h2-3,7,13H,4-5H2,1H3,(H,10,11,12).
What are the key properties of 1-[(5-bromopyrimidin-2-yl)amino]-3-methoxypropan-2-ol?
1-[(5-bromopyrimidin-2-yl)amino]-3-methoxypropan-2-ol has a molecular weight of 262.11 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromopyrimidin-2-yl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 56791638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).