(2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol

C9H15BrN4O — CID 58796222

IUPAC(2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)Nc1nc(N)ncc1Br
InChIInChI=1S/C9H15BrN4O/c1-5(2)7(4-15)13-8-6(10)3-12-9(11)14-8/h3,5,7,15H,4H2,1-2H3,(H3,11,12,13,14)/t7-/m0/s1
InChIKeyIXVNYWWQIYVALH-ZETCQYMHSA-N
MW275.15 g/mol
LogP1.25
Rot. Bonds4

About (2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol

(2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol (PubChem CID 58796222) has the molecular formula C9H15BrN4O and a molecular weight of 275.15 g/mol. Its IUPAC name is (2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol
PubChem CID58796222
Molecular FormulaC9H15BrN4O
Molecular Weight275.15 g/mol
Exact Mass274.04
IUPAC Name(2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)Nc1nc(N)ncc1Br
InChIInChI=1S/C9H15BrN4O/c1-5(2)7(4-15)13-8-6(10)3-12-9(11)14-8/h3,5,7,15H,4H2,1-2H3,(H3,11,12,13,14)/t7-/m0/s1
InChIKeyIXVNYWWQIYVALH-ZETCQYMHSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol (CID 58796222) is (2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol is CC(C)[C@H](CO)Nc1nc(N)ncc1Br.
What is the InChIKey of (2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The InChIKey is IXVNYWWQIYVALH-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15BrN4O/c1-5(2)7(4-15)13-8-6(10)3-12-9(11)14-8/h3,5,7,15H,4H2,1-2H3,(H3,11,12,13,14)/t7-/m0/s1.
What are the key properties of (2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol?
(2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-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 (2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 58796222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).