3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol

C9H15BrN4O — CID 115366526

IUPAC3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1nc(N)ncc1Br
InChIInChI=1S/C9H15BrN4O/c1-9(2,5-15)4-13-7-6(10)3-12-8(11)14-7/h3,15H,4-5H2,1-2H3,(H3,11,12,13,14)
InChIKeyWSLCTTHCZZSCLV-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.25
Rot. Bonds4

About 3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol

3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 115366526) has the molecular formula C9H15BrN4O and a molecular weight of 275.15 g/mol. Its IUPAC name is 3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID115366526
Molecular FormulaC9H15BrN4O
Molecular Weight275.15 g/mol
Exact Mass274.04
IUPAC Name3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1nc(N)ncc1Br
InChIInChI=1S/C9H15BrN4O/c1-9(2,5-15)4-13-7-6(10)3-12-8(11)14-7/h3,15H,4-5H2,1-2H3,(H3,11,12,13,14)
InChIKeyWSLCTTHCZZSCLV-UHFFFAOYSA-N
XLogP1.25
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179448
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366608
3-[(2-amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366465
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366556
2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol
CID 80766317
1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159495
4-[(2-amino-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149824
4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149814
5-bromo-4-N-(3-ethylpentan-3-yl)pyrimidine-2,4-diamine
CID 80841053
5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine
CID 106900943
(2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 58796222
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366625

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol (CID 115366526) is 3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1nc(N)ncc1Br.
What is the InChIKey of 3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is WSLCTTHCZZSCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O/c1-9(2,5-15)4-13-7-6(10)3-12-8(11)14-7/h3,15H,4-5H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 275.15 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115366526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).