[(3R)-1-(2-amino-5-chloropyrimidin-4-yl)-6-bromo-3-methyl-2H-indol-3-yl]methanol

C14H14BrClN4O — CID 58221276

IUPAC[(3R)-1-(2-amino-5-chloropyrimidin-4-yl)-6-bromo-3-methyl-2H-indol-3-yl]methanol
SMILESC[C@]1(CO)CN(c2nc(N)ncc2Cl)c2cc(Br)ccc21
InChIInChI=1S/C14H14BrClN4O/c1-14(7-21)6-20(11-4-8(15)2-3-9(11)14)12-10(16)5-18-13(17)19-12/h2-5,21H,6-7H2,1H3,(H2,17,18,19)/t14-/m1/s1
InChIKeyYVRSCTRBERRMPV-CQSZACIVSA-N
MW369.65 g/mol
LogP2.88
Rot. Bonds2

About [(3R)-1-(2-amino-5-chloropyrimidin-4-yl)-6-bromo-3-methyl-2H-indol-3-yl]methanol

[(3R)-1-(2-amino-5-chloropyrimidin-4-yl)-6-bromo-3-methyl-2H-indol-3-yl]methanol (PubChem CID 58221276) has the molecular formula C14H14BrClN4O and a molecular weight of 369.65 g/mol. Its IUPAC name is [(3R)-1-(2-amino-5-chloropyrimidin-4-yl)-6-bromo-3-methyl-2H-indol-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(2-amino-5-chloropyrimidin-4-yl)-6-bromo-3-methyl-2H-indol-3-yl]methanol
PubChem CID58221276
Molecular FormulaC14H14BrClN4O
Molecular Weight369.65 g/mol
Exact Mass368.00
IUPAC Name[(3R)-1-(2-amino-5-chloropyrimidin-4-yl)-6-bromo-3-methyl-2H-indol-3-yl]methanol
SMILESC[C@]1(CO)CN(c2nc(N)ncc2Cl)c2cc(Br)ccc21
InChIInChI=1S/C14H14BrClN4O/c1-14(7-21)6-20(11-4-8(15)2-3-9(11)14)12-10(16)5-18-13(17)19-12/h2-5,21H,6-7H2,1H3,(H2,17,18,19)/t14-/m1/s1
InChIKeyYVRSCTRBERRMPV-CQSZACIVSA-N
XLogP2.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(2-amino-5-chloropyrimidin-4-yl)-6-bromo-3-methyl-2H-indol-3-yl]methanol?
The IUPAC name of [(3R)-1-(2-amino-5-chloropyrimidin-4-yl)-6-bromo-3-methyl-2H-indol-3-yl]methanol (CID 58221276) is [(3R)-1-(2-amino-5-chloropyrimidin-4-yl)-6-bromo-3-methyl-2H-indol-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(2-amino-5-chloropyrimidin-4-yl)-6-bromo-3-methyl-2H-indol-3-yl]methanol?
The canonical SMILES for [(3R)-1-(2-amino-5-chloropyrimidin-4-yl)-6-bromo-3-methyl-2H-indol-3-yl]methanol is C[C@]1(CO)CN(c2nc(N)ncc2Cl)c2cc(Br)ccc21.
What is the InChIKey of [(3R)-1-(2-amino-5-chloropyrimidin-4-yl)-6-bromo-3-methyl-2H-indol-3-yl]methanol?
The InChIKey is YVRSCTRBERRMPV-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14BrClN4O/c1-14(7-21)6-20(11-4-8(15)2-3-9(11)14)12-10(16)5-18-13(17)19-12/h2-5,21H,6-7H2,1H3,(H2,17,18,19)/t14-/m1/s1.
What are the key properties of [(3R)-1-(2-amino-5-chloropyrimidin-4-yl)-6-bromo-3-methyl-2H-indol-3-yl]methanol?
[(3R)-1-(2-amino-5-chloropyrimidin-4-yl)-6-bromo-3-methyl-2H-indol-3-yl]methanol has a molecular weight of 369.65 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2-amino-5-chloropyrimidin-4-yl)-6-bromo-3-methyl-2H-indol-3-yl]methanol is sourced from PubChem (CID 58221276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).